3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid

C14H18ClNO2 — CID 117002682

IUPAC3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(c2ccccc2Cl)C1
InChIInChI=1S/C14H18ClNO2/c15-12-5-1-2-6-13(12)16-9-3-4-11(10-16)7-8-14(17)18/h1-2,5-6,11H,3-4,7-10H2,(H,17,18)
InChIKeyKTGFZFNWZHMMIH-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.42
Rot. Bonds4

About 3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid

3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid (PubChem CID 117002682) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid
PubChem CID117002682
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(c2ccccc2Cl)C1
InChIInChI=1S/C14H18ClNO2/c15-12-5-1-2-6-13(12)16-9-3-4-11(10-16)7-8-14(17)18/h1-2,5-6,11H,3-4,7-10H2,(H,17,18)
InChIKeyKTGFZFNWZHMMIH-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2-chlorophenyl)piperidin-3-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

3-[1-(5-chloro-2-cyanophenyl)piperidin-3-yl]propanoic acid
CID 63083625
3-[1-(2-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002587
3-[1-(2,4-dimethylphenyl)piperidin-3-yl]propanoic acid
CID 117002672
3-[(3R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 129415250
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 97013871
3-[(3S)-1-[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]piperidin-3-yl]propanoic acid
CID 98887374
2-[1-[3-chloro-2-(hydroxymethyl)phenyl]piperidin-3-yl]ethanol
CID 107227924
3-[[1-(2-chlorophenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004291
3-[1-(2,3-dimethylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002593
3-[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002604
3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039
2-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]benzaldehyde
CID 43590389

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid (CID 117002682) is 3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid is O=C(O)CCC1CCCN(c2ccccc2Cl)C1.
What is the InChIKey of 3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid?
The InChIKey is KTGFZFNWZHMMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-12-5-1-2-6-13(12)16-9-3-4-11(10-16)7-8-14(17)18/h1-2,5-6,11H,3-4,7-10H2,(H,17,18).
What are the key properties of 3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid?
3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid has a molecular weight of 267.76 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 117002682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).