2-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid

C14H18ClNO2 — CID 10849458

IUPAC2-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid
SMILESCC(C(=O)O)c1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C14H18ClNO2/c1-10(14(17)18)12-9-11(15)5-6-13(12)16-7-3-2-4-8-16/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyWJGCQYZNVBZAAM-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.52
Rot. Bonds3

About 2-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid

2-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid (PubChem CID 10849458) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid
PubChem CID10849458
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid
SMILESCC(C(=O)O)c1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C14H18ClNO2/c1-10(14(17)18)12-9-11(15)5-6-13(12)16-7-3-2-4-8-16/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyWJGCQYZNVBZAAM-UHFFFAOYSA-N
XLogP3.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid?
The IUPAC name of 2-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid (CID 10849458) is 2-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid.
What is the SMILES notation for 2-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid?
The canonical SMILES for 2-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid is CC(C(=O)O)c1cc(Cl)ccc1N1CCCCC1.
What is the InChIKey of 2-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid?
The InChIKey is WJGCQYZNVBZAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10(14(17)18)12-9-11(15)5-6-13(12)16-7-3-2-4-8-16/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of 2-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid?
2-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid has a molecular weight of 267.76 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid is sourced from PubChem (CID 10849458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).