1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid

C20H23NO2 — CID 122040656

IUPAC1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid
SMILESCc1ccccc1-c1ccccc1CN1CCCC(C(=O)O)C1
InChIInChI=1S/C20H23NO2/c1-15-7-2-4-10-18(15)19-11-5-3-8-16(19)13-21-12-6-9-17(14-21)20(22)23/h2-5,7-8,10-11,17H,6,9,12-14H2,1H3,(H,22,23)
InChIKeyAEVWBPVQKCUVBR-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.96
Rot. Bonds4

About 1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid

1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid (PubChem CID 122040656) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid
PubChem CID122040656
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid
SMILESCc1ccccc1-c1ccccc1CN1CCCC(C(=O)O)C1
InChIInChI=1S/C20H23NO2/c1-15-7-2-4-10-18(15)19-11-5-3-8-16(19)13-21-12-6-9-17(14-21)20(22)23/h2-5,7-8,10-11,17H,6,9,12-14H2,1H3,(H,22,23)
InChIKeyAEVWBPVQKCUVBR-UHFFFAOYSA-N
XLogP3.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid
CID 43440689
(3S)-1-[(2-chloro-6-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24905028
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
[1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920515
(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904832
1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 43440909
N-cyclopentyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918554
1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid
CID 122040667
1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 178133859
1-[[1-tert-butyl-3-(2-chlorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 122040617
1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 5235973
1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
CID 43440675

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid (CID 122040656) is 1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid is Cc1ccccc1-c1ccccc1CN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid?
The InChIKey is AEVWBPVQKCUVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-7-2-4-10-18(15)19-11-5-3-8-16(19)13-21-12-6-9-17(14-21)20(22)23/h2-5,7-8,10-11,17H,6,9,12-14H2,1H3,(H,22,23).
What are the key properties of 1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid?
1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid has a molecular weight of 309.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122040656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).