3-(3-chloro-4-piperidin-1-ylphenyl)propanoic acid

C14H18ClNO2 — CID 117423057

IUPAC3-(3-chloro-4-piperidin-1-ylphenyl)propanoic acid
SMILESO=C(O)CCc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c15-12-10-11(5-7-14(17)18)4-6-13(12)16-8-2-1-3-9-16/h4,6,10H,1-3,5,7-9H2,(H,17,18)
InChIKeyPFKBMMJUJOXZFH-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.35
Rot. Bonds4

About 3-(3-chloro-4-piperidin-1-ylphenyl)propanoic acid

3-(3-chloro-4-piperidin-1-ylphenyl)propanoic acid (PubChem CID 117423057) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-(3-chloro-4-piperidin-1-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-piperidin-1-ylphenyl)propanoic acid
PubChem CID117423057
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-(3-chloro-4-piperidin-1-ylphenyl)propanoic acid
SMILESO=C(O)CCc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C14H18ClNO2/c15-12-10-11(5-7-14(17)18)4-6-13(12)16-8-2-1-3-9-16/h4,6,10H,1-3,5,7-9H2,(H,17,18)
InChIKeyPFKBMMJUJOXZFH-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-3-piperidin-1-ylphenyl)propanoic acid
CID 82514433
2-(3-chloro-4-piperidin-1-ylphenyl)ethanamine
CID 3054967
3-(3-chloro-4-pyrrolidin-1-ylphenyl)propanal
CID 117348231
4-(azocan-1-yl)-3-chlorobenzoic acid
CID 63088316
3-chloro-4-piperidin-1-ylbenzoic acid
CID 18956231
O-[2-(3-chloro-4-pyrrolidin-1-ylphenyl)ethyl]hydroxylamine
CID 117354257
3-(2-pyrrolidin-1-yl-4-pyridinyl)propanoic acid
CID 82661762
3-(3-amino-4-piperidin-1-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070972
2-(3-bromo-4-piperidin-1-ylphenyl)acetic acid
CID 117480207
2-[3-chloro-4-(3-hydroxypiperidin-1-yl)phenyl]acetic acid
CID 154114926
3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid
CID 117427366
(E)-3-[4-(azocan-1-yl)-3-chlorophenyl]prop-2-enoic acid
CID 81155154

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-piperidin-1-ylphenyl)propanoic acid?
The IUPAC name of 3-(3-chloro-4-piperidin-1-ylphenyl)propanoic acid (CID 117423057) is 3-(3-chloro-4-piperidin-1-ylphenyl)propanoic acid.
What is the SMILES notation for 3-(3-chloro-4-piperidin-1-ylphenyl)propanoic acid?
The canonical SMILES for 3-(3-chloro-4-piperidin-1-ylphenyl)propanoic acid is O=C(O)CCc1ccc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-piperidin-1-ylphenyl)propanoic acid?
The InChIKey is PFKBMMJUJOXZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-12-10-11(5-7-14(17)18)4-6-13(12)16-8-2-1-3-9-16/h4,6,10H,1-3,5,7-9H2,(H,17,18).
What are the key properties of 3-(3-chloro-4-piperidin-1-ylphenyl)propanoic acid?
3-(3-chloro-4-piperidin-1-ylphenyl)propanoic acid has a molecular weight of 267.76 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-piperidin-1-ylphenyl)propanoic acid is sourced from PubChem (CID 117423057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).