Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65918
- Core Entity Id
- 128567
- Source Entity Count
- 1
- Preferred Name
- 1-(2-piperidinyl)-2-Propanone
- Name En
- Pubchem Id
- 92987
- Smiles Canonical
- CC(=O)CC1CCCCN1
- Molecular Formula
- C8H15NO
- Molecular Weight
- 141.1200
- Inchikey
- JEIZLWNUBXHADF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.4000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 29.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-(2-piperidinyl)-2-Propanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-(2-piperidinyl)-2-Propanone
Itcmdb Generated
ITX-INGREDIENT-8CC85DE18EF7
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
141.120
Molecular Formula
C8H15NO
Fda Maximum Daily Dose (Fdamdd)
0.175
Quantitative Estimate Of Drug Likeness（Qed）
0.624