2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid

C14H18ClNO2 — CID 82345110

IUPAC2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid
SMILESCC1CCCCN1C(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c1-10-4-2-3-9-16(10)13(14(17)18)11-5-7-12(15)8-6-11/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)
InChIKeyJZKNTJBVWNPXQU-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.34
Rot. Bonds3

About 2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid

2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid (PubChem CID 82345110) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid
PubChem CID82345110
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid
SMILESCC1CCCCN1C(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c1-10-4-2-3-9-16(10)13(14(17)18)11-5-7-12(15)8-6-11/h5-8,10,13H,2-4,9H2,1H3,(H,17,18)
InChIKeyJZKNTJBVWNPXQU-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
CID 1091381
2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 82345105
2-(2-methylpiperidin-1-yl)-2-(3-propan-2-yloxyphenyl)acetic acid
CID 84751470
2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid
CID 84748280
2-(4-carbamoylpiperidin-1-yl)-2-(4-chlorophenyl)acetic acid
CID 82344904
2-(4-chlorophenyl)-N-cyclohexyl-2-pyrrolidin-1-ylacetamide
CID 4177946
2-(2,4-dimethyl-1,4-diazepan-1-yl)-2-phenylacetic acid
CID 114087291
2-(2,4-dimethylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetic acid
CID 83978717
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-(4-methylpiperidin-1-yl)acetamide
CID 94778986
1-(4-chlorophenyl)-1-pyrrolidin-1-ylpropan-2-one
CID 70539121
2-(2-ethylpiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)acetic acid
CID 84748999
methyl (2R)-1-[(1S)-1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 93011501

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid (CID 82345110) is 2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid is CC1CCCCN1C(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid?
The InChIKey is JZKNTJBVWNPXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-4-2-3-9-16(10)13(14(17)18)11-5-7-12(15)8-6-11/h5-8,10,13H,2-4,9H2,1H3,(H,17,18).
What are the key properties of 2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid?
2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid has a molecular weight of 267.76 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(2-methylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 82345110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).