1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid

C14H18ClNO2 — CID 122084082

IUPAC1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1Cc1ccccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-10-6-7-12(14(17)18)9-16(10)8-11-4-2-3-5-13(11)15/h2-5,10,12H,6-9H2,1H3,(H,17,18)
InChIKeyNGJBIYNKHRROOE-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.03
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid

1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid (PubChem CID 122084082) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
PubChem CID122084082
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1Cc1ccccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-10-6-7-12(14(17)18)9-16(10)8-11-4-2-3-5-13(11)15/h2-5,10,12H,6-9H2,1H3,(H,17,18)
InChIKeyNGJBIYNKHRROOE-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,6S)-1-(1,3-benzodioxol-4-ylmethyl)-6-methylpiperidine-3-carboxylic acid
CID 129470147
1-(1,3-benzodioxol-4-ylmethyl)-6-methylpiperidine-3-carboxylic acid
CID 122124325
1-[(4-tert-butylphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084060
1-[(6-chloroquinolin-8-yl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122124482
(2R,3R)-1-[(2-chlorophenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124676
6-methyl-1-[[4-(trifluoromethylsulfanyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 122084119
1-(1-benzothiophen-2-ylmethyl)-6-methylpiperidine-3-carboxylic acid
CID 122124474
1-[(3-chloro-5-fluorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084199
1-[(2-fluoro-5-methoxyphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122124597
1-[(3,4-difluorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084101
1-[(4-bromo-5-chlorothiophen-2-yl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084211
1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122124380

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid (CID 122084082) is 1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid?
The InChIKey is NGJBIYNKHRROOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-6-7-12(14(17)18)9-16(10)8-11-4-2-3-5-13(11)15/h2-5,10,12H,6-9H2,1H3,(H,17,18).
What are the key properties of 1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid?
1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid has a molecular weight of 267.76 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122084082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).