Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6322
- Core Entity Id
- 10207
- Source Entity Count
- 1
- Preferred Name
- 4-pipecoline
- Name En
- Pubchem Id
- 69381
- Smiles Canonical
- CC1CCNCC1
- Molecular Formula
- C6H13N
- Molecular Weight
- 99.1770
- Inchikey
- UZOFELREXGAFOI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3
- Isomeric Smiles
- CC1CCNCC1
- Cas Id
- 626-58-4
- Ob Score
- 50.0610
- Mol Logp
- 1.0059
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4780
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Pipecoline
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4-Pipecoline
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-Pipecoline
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-Pipecoline
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-pipecoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-pipecoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
.gamma.-Pipecoline
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methylpiperidine
Role
alias
Source
TCMBank
Preferred
No
Name
4-Methylpiperidine
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Methylpiperidine
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Pipecoline (8CI)
Role
alias
Source
TCMBank
Preferred
No
Name
4-methylpiperidin
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-methylpiperidin
Role
alias
Source
HERB_v2
Preferred
No
Name
626-58-4
Role
alias
Source
HERB_v2
Preferred
No
Name
626-58-4
Role
alias
Source
TCMBank
Preferred
No
Name
626-58-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
68860_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-52235
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 210-954-1
Role
alias
Source
TCMBank
Preferred
No
Name
EV6HN6HDP8
Role
alias
Source
HERB_v2
Preferred
No
Name
EV6HN6HDP8
Role
alias
Source
itcmdb_public
Preferred
No
Name
InChI=1/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H
Role
alias
Source
TCMBank
Preferred
No
Name
M73206_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00006005
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00006005
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC66495
Role
alias
Source
TCMBank
Preferred
No
Name
Piperidine, 4-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Piperidine, 4-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Piperidine, 4-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
ST5213821
Role
alias
Source
TCMBank
Preferred
No
Name
gamma-Pipecoline
Role
alias
Source
HERB_v2
Preferred
No
Name
gamma-Pipecoline
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
.gamma.-Pipecoline4-Methylpiperidine4-Pipecoline (8CI)4-methylpiperidin626-58-468860_FLUKAAI3-52235EINECS 210-954-1EV6HN6HDP8InChI=1/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1HM73206_ALDRICHMFCD00006005NSC66495Piperidine, 4-methyl-ST5213821gamma-Pipecoline
Cross References
Trusted external identifiers retained for this final record.
Cas
626-58-4
Herb
HBIN010823
Tcmsp
MOL000464
Sym Map
SMIT03063
Pub Chem
69381
Tcmbank
TCMBANKIN000802
Etcm Ingredient
4-Pipecoline
Itcmdb Generated
ITX-INGREDIENT-09F3A569A96A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3
Mol Wt
99.17699999999999
Cas Id
626-58-4
Smiles
CC1CCNCC1
Mol Log P
1.0059
Version
v1,v2
In Ch Ikey
UZOFELREXGAFOI-UHFFFAOYSA-N
Ob Score
50.06150.06105550.06105525
Suppress
0
Num Hdonors
1
Drug Likeness
0.478
Num Hacceptors
1
Isomeric Smiles
CC1CCNCC1
Molecule Weight
99.2
Canonical Smiles
CC1CCNCC1
Herb Alias Names
4-Methylpiperidine626-58-4Piperidine, 4-methyl-4-methylpiperidingamma-Pipecoline4-Methyl-piperidineEV6HN6HDP8MFCD00006005.gamma.-Pipecoline
Molecular Weight
99.100
Molecular Weight
99.17
Molecular Formula
C6H13N
Molecular Formula
C6H13N
Molecular Formula
C6H13N
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.047
Quantitative Estimate Of Drug Likeness（Qed）
0.478