2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid

C13H16ClNO2 — CID 131892982

IUPAC2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H16ClNO2/c14-12-5-3-10(4-6-12)11-2-1-7-15(8-11)9-13(16)17/h3-6,11H,1-2,7-9H2,(H,16,17)
InChIKeySNUZVFZMUHKVQO-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.60
Rot. Bonds3

About 2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid

2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid (PubChem CID 131892982) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid
PubChem CID131892982
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H16ClNO2/c14-12-5-3-10(4-6-12)11-2-1-7-15(8-11)9-13(16)17/h3-6,11H,1-2,7-9H2,(H,16,17)
InChIKeySNUZVFZMUHKVQO-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 83541941
3-(4-chlorophenyl)-1-propoxypiperidine
CID 91502284
1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 118765182
2-[2-(4-chlorophenyl)azepan-1-yl]acetic acid
CID 119135905
4-[(3S)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]benzoic acid
CID 97210621
2-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82134062
1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one
CID 72921513
4-(3-phenylpiperidin-1-yl)butanoic acid
CID 156599277
1-[3-(4-chlorophenyl)azepan-1-yl]-2-cyclohexylethanone
CID 121146455
3-(4-chlorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080813
4-[(3S)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]benzoic acid
CID 97206519
1-[3-(4-chlorophenyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 118779777

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid (CID 131892982) is 2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid is O=C(O)CN1CCCC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid?
The InChIKey is SNUZVFZMUHKVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-12-5-3-10(4-6-12)11-2-1-7-15(8-11)9-13(16)17/h3-6,11H,1-2,7-9H2,(H,16,17).
What are the key properties of 2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid?
2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid has a molecular weight of 253.73 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 131892982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).