6-(2-chlorophenyl)piperidine-3-carboxylic acid

C12H14ClNO2 — CID 117168140

IUPAC6-(2-chlorophenyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(c2ccccc2Cl)NC1
InChIInChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)11-6-5-8(7-14-11)12(15)16/h1-4,8,11,14H,5-7H2,(H,15,16)
InChIKeyNJEPLOMYQOKDTF-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.47
Rot. Bonds2

About 6-(2-chlorophenyl)piperidine-3-carboxylic acid

6-(2-chlorophenyl)piperidine-3-carboxylic acid (PubChem CID 117168140) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 6-(2-chlorophenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-chlorophenyl)piperidine-3-carboxylic acid
PubChem CID117168140
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name6-(2-chlorophenyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(c2ccccc2Cl)NC1
InChIInChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)11-6-5-8(7-14-11)12(15)16/h1-4,8,11,14H,5-7H2,(H,15,16)
InChIKeyNJEPLOMYQOKDTF-UHFFFAOYSA-N
XLogP2.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)piperidine-4-carboxylic acid
CID 82388189
2-(2-chlorophenyl)-5-methylpiperidine
CID 84723051
4-(2-chlorophenyl)cyclohexane-1-carboxylic acid
CID 18597617
6-(2-chlorophenyl)piperidine-3-carbonitrile
CID 117168145
(2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 70380425
6-(4-hydroxyphenyl)piperidine-3-carboxylic acid
CID 117168119
5-(2-chlorophenyl)pyrrolidin-3-ol;hydrochloride
CID 115039948
5-[3-chloro-2-(difluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117441288
5-(2-chloro-3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117361084
4-(2-chlorophenyl)piperidine-3-carboxylic acid
CID 82388184
4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 82621815
3-(2-chlorophenyl)piperazine-1-carboxylic acid
CID 174410576

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)piperidine-3-carboxylic acid?
The IUPAC name of 6-(2-chlorophenyl)piperidine-3-carboxylic acid (CID 117168140) is 6-(2-chlorophenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-(2-chlorophenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-(2-chlorophenyl)piperidine-3-carboxylic acid is O=C(O)C1CCC(c2ccccc2Cl)NC1.
What is the InChIKey of 6-(2-chlorophenyl)piperidine-3-carboxylic acid?
The InChIKey is NJEPLOMYQOKDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-4-2-1-3-9(10)11-6-5-8(7-14-11)12(15)16/h1-4,8,11,14H,5-7H2,(H,15,16).
What are the key properties of 6-(2-chlorophenyl)piperidine-3-carboxylic acid?
6-(2-chlorophenyl)piperidine-3-carboxylic acid has a molecular weight of 239.70 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 117168140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).