3-(4-benzylpiperidin-1-yl)propanoic acid

C15H21NO2 — CID 6494457

IUPAC3-(4-benzylpiperidin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c17-15(18)8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,17,18)
InChIKeyITMUQTABMZRAAP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.42
Rot. Bonds5

About 3-(4-benzylpiperidin-1-yl)propanoic acid

3-(4-benzylpiperidin-1-yl)propanoic acid (PubChem CID 6494457) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)propanoic acid
PubChem CID6494457
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(4-benzylpiperidin-1-yl)propanoic acid
SMILESO=C(O)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c17-15(18)8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,17,18)
InChIKeyITMUQTABMZRAAP-UHFFFAOYSA-N
XLogP2.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-benzylpiperidin-1-yl)propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

Skf 89976
CID 92409
N-Phenethyl-4-piperidinone
CID 96437
1-(3-Phenylpropanoyl)piperidine-4-carboxylic acid
CID 2813193
3-Methyl-1-(2-phenylethyl)piperidin-4-one
CID 580922
2-[(4-tert-Butylphenyl)methyl]-3-piperidin-1-ylpropanoic acid
CID 139597728
(3S)-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid
CID 6604015
1-(4,4-Diphenylbut-3-en-1-yl)piperidine-3-carboxylic acid hydrochloride
CID 6917797
1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxylic acid
CID 9797818
1-Benzylazetidine-3-carboxylic acid
CID 3161318
2-(4-Phenylpiperidin-1-yl)acetic acid
CID 1089052
(3R)-1-[4,4-bis(2-methylphenyl)but-3-enyl]piperidine-3-carboxylic acid
CID 15355217
(3R)-1-[(E)-4-(2-fluorophenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 53318650

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)propanoic acid?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)propanoic acid (CID 6494457) is 3-(4-benzylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)propanoic acid is O=C(O)CCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)propanoic acid?
The InChIKey is ITMUQTABMZRAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(18)8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,17,18).
What are the key properties of 3-(4-benzylpiperidin-1-yl)propanoic acid?
3-(4-benzylpiperidin-1-yl)propanoic acid has a molecular weight of 247.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 6494457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).