4-phenyl-3-piperidin-1-ylpentanoic acid

C16H23NO2 — CID 64526249

IUPAC4-phenyl-3-piperidin-1-ylpentanoic acid
SMILESCC(c1ccccc1)C(CC(=O)O)N1CCCCC1
InChIInChI=1S/C16H23NO2/c1-13(14-8-4-2-5-9-14)15(12-16(18)19)17-10-6-3-7-11-17/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,18,19)
InChIKeyQSLWEJRPDDYHPH-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.12
Rot. Bonds5

About 4-phenyl-3-piperidin-1-ylpentanoic acid

4-phenyl-3-piperidin-1-ylpentanoic acid (PubChem CID 64526249) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-phenyl-3-piperidin-1-ylpentanoic acid.

Molecular Properties

Compound Name4-phenyl-3-piperidin-1-ylpentanoic acid
PubChem CID64526249
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name4-phenyl-3-piperidin-1-ylpentanoic acid
SMILESCC(c1ccccc1)C(CC(=O)O)N1CCCCC1
InChIInChI=1S/C16H23NO2/c1-13(14-8-4-2-5-9-14)15(12-16(18)19)17-10-6-3-7-11-17/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,18,19)
InChIKeyQSLWEJRPDDYHPH-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-3-piperidin-1-ylpentanoic 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

5-phenyl-3-pyrrolidin-1-ylhexanoic acid
CID 64526378
4-methyl-3-pyrrolidin-1-ylhexanoic acid
CID 64527753
(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
(2S)-2-phenyl-1-pyrrolidin-1-ylpropan-1-amine
CID 67673166
2-(1-phenylethyl)butanedioic acid
CID 2837676
1-[(2R)-2-nitro-1-phenylpropyl]piperidine
CID 134884394
3-(2-ethylphenyl)-3-piperidin-1-ylpropanoic acid
CID 64526440
3-ethyl-4-phenylpentanoic acid
CID 57075927
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
methyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate
CID 95967811
3-(2-chlorophenyl)-3-piperidin-1-ylpropanoic acid
CID 64527224

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-piperidin-1-ylpentanoic acid?
The IUPAC name of 4-phenyl-3-piperidin-1-ylpentanoic acid (CID 64526249) is 4-phenyl-3-piperidin-1-ylpentanoic acid.
What is the SMILES notation for 4-phenyl-3-piperidin-1-ylpentanoic acid?
The canonical SMILES for 4-phenyl-3-piperidin-1-ylpentanoic acid is CC(c1ccccc1)C(CC(=O)O)N1CCCCC1.
What is the InChIKey of 4-phenyl-3-piperidin-1-ylpentanoic acid?
The InChIKey is QSLWEJRPDDYHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(14-8-4-2-5-9-14)15(12-16(18)19)17-10-6-3-7-11-17/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H,18,19).
What are the key properties of 4-phenyl-3-piperidin-1-ylpentanoic acid?
4-phenyl-3-piperidin-1-ylpentanoic acid has a molecular weight of 261.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-piperidin-1-ylpentanoic acid is sourced from PubChem (CID 64526249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).