1-benzylpiperidine-2-carboxylic acid

C13H17NO2 — CID 2841641

IUPAC1-benzylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c15-13(16)12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)
InChIKeyFEUCBQVXYVZGCM-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.13
Rot. Bonds3

About 1-benzylpiperidine-2-carboxylic acid

1-benzylpiperidine-2-carboxylic acid (PubChem CID 2841641) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-benzylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-benzylpiperidine-2-carboxylic acid
PubChem CID2841641
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-benzylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C13H17NO2/c15-13(16)12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)
InChIKeyFEUCBQVXYVZGCM-UHFFFAOYSA-N
XLogP2.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzylpiperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperidine-2-carboxylic acid?
The IUPAC name of 1-benzylpiperidine-2-carboxylic acid (CID 2841641) is 1-benzylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-benzylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-benzylpiperidine-2-carboxylic acid is O=C(O)C1CCCCN1Cc1ccccc1.
What is the InChIKey of 1-benzylpiperidine-2-carboxylic acid?
The InChIKey is FEUCBQVXYVZGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(16)12-8-4-5-9-14(12)10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16).
What are the key properties of 1-benzylpiperidine-2-carboxylic acid?
1-benzylpiperidine-2-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpiperidine-2-carboxylic acid is sourced from PubChem (CID 2841641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).