Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27702
- Core Entity Id
- 33974
- Source Entity Count
- 1
- Preferred Name
- N-methyl-2-beta-hydroxypropyl piperidine
- Name En
- Pubchem Id
- 3689
- Smiles Canonical
- CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3
- Molecular Formula
- C21H27NO2
- Molecular Weight
- 325.4520
- Inchikey
- UYNVMODNBIQBMV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3
- Isomeric Smiles
- CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3
- Cas Id
- Ob Score
- Mol Logp
- 3.7688
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8790
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
N-methyl-2-beta-hydroxypropyl piperidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
N-methyl-2-beta-hydroxypropyl piperidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
23210-56-2
Role
alias
Source
HERB_v2
Preferred
No
Name
23210-56-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-(2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl)phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-(2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl)phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Creocral
Role
alias
Source
HERB_v2
Preferred
No
Name
Creocral
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dilvax
Role
alias
Source
HERB_v2
Preferred
No
Name
Dilvax
Role
alias
Source
itcmdb_public
Preferred
No
Name
IFENPRODIL HEMITARTRATE
Role
alias
Source
HERB_v2
Preferred
No
Name
IFENPRODIL HEMITARTRATE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ifenprodil
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ifenprodil
Role
alias
Source
HERB_v2
Preferred
No
Name
Ifenprodilum
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ifenprodilum
Role
alias
Source
HERB_v2
Preferred
No
Name
RC 61-91
Role
alias
Source
itcmdb_public
Preferred
No
Name
RC 61-91
Role
alias
Source
HERB_v2
Preferred
No
Name
Vadilex
Role
alias
Source
HERB_v2
Preferred
No
Name
Vadilex
Role
alias
Source
itcmdb_public
Preferred
No
Name
ifenprodil tartrate
Role
alias
Source
HERB_v2
Preferred
No
Name
ifenprodil tartrate
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Methyl-2-Β-Hydroxypropyl Piperidine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
N-methyl-2-β-Hydroxypropyl piperidine
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
23210-56-24-(2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl)phenolCreocralDilvaxIFENPRODIL HEMITARTRATEIfenprodilIfenprodilumRC 61-91Vadilexifenprodil tartrateN-Methyl-2-Β-Hydroxypropyl Piperidine
Cross References
Trusted external identifiers retained for this final record.
Hit
C0139
Herb
HBIN037061
Npass
NPC307020
Tcmid
34606
Sym Map
SMIT25621
Pub Chem
3689
Tcmbank
TCMBANKIN016901
Itcmdb Generated
ITX-INGREDIENT-35239AC99A95
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3
Mol Wt
325.4519999999999
Smiles
CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3
Mol Log P
3.768800000000002
Version
v2
In Ch Ikey
UYNVMODNBIQBMV-UHFFFAOYSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.879
Num Hacceptors
3
Isomeric Smiles
CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3
Canonical Smiles
CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3
Herb Alias Names
Ifenprodil23210-56-2ifenprodil tartrateDilvaxVadilexCreocralIFENPRODIL HEMITARTRATE4-(2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl)phenolIfenprodilumRC 61-91
Molecular Formula
C21H27NO2
Molecular Formula
C21H27NO2
Num Rotatable Bonds
5