2-(4-methylphenyl)piperidine-1-carboxylic acid

C13H17NO2 — CID 142773311

IUPAC2-(4-methylphenyl)piperidine-1-carboxylic acid
SMILESCc1ccc(C2CCCCN2C(=O)O)cc1
InChIInChI=1S/C13H17NO2/c1-10-5-7-11(8-6-10)12-4-2-3-9-14(12)13(15)16/h5-8,12H,2-4,9H2,1H3,(H,15,16)
InChIKeyBDVOWOWFIGJSGC-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.20
Rot. Bonds1

About 2-(4-methylphenyl)piperidine-1-carboxylic acid

2-(4-methylphenyl)piperidine-1-carboxylic acid (PubChem CID 142773311) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(4-methylphenyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylphenyl)piperidine-1-carboxylic acid
PubChem CID142773311
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(4-methylphenyl)piperidine-1-carboxylic acid
SMILESCc1ccc(C2CCCCN2C(=O)O)cc1
InChIInChI=1S/C13H17NO2/c1-10-5-7-11(8-6-10)12-4-2-3-9-14(12)13(15)16/h5-8,12H,2-4,9H2,1H3,(H,15,16)
InChIKeyBDVOWOWFIGJSGC-UHFFFAOYSA-N
XLogP3.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(4-methylphenyl)piperidin-1-yl]ethanone
CID 127352065
2-(4-methylphenyl)pyrrolidine-1-carbothioic S-acid
CID 176933057
(3-aminocyclopentyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone
CID 119785073
3-amino-2-methyl-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 120500863
4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one
CID 120592294
(3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119785074
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 53096340
4-amino-3-methoxy-1-[2-(4-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 120592293
(2R)-2-pyridazin-4-ylpiperidine-1-carboxylic acid
CID 135283972
2-(4-methylphenyl)-N-(2-phenylethyl)azepane-1-carboxamide
CID 53013117
4-[[2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021682
(2R)-N-(2-methylphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076709

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)piperidine-1-carboxylic acid?
The IUPAC name of 2-(4-methylphenyl)piperidine-1-carboxylic acid (CID 142773311) is 2-(4-methylphenyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-(4-methylphenyl)piperidine-1-carboxylic acid?
The canonical SMILES for 2-(4-methylphenyl)piperidine-1-carboxylic acid is Cc1ccc(C2CCCCN2C(=O)O)cc1.
What is the InChIKey of 2-(4-methylphenyl)piperidine-1-carboxylic acid?
The InChIKey is BDVOWOWFIGJSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-5-7-11(8-6-10)12-4-2-3-9-14(12)13(15)16/h5-8,12H,2-4,9H2,1H3,(H,15,16).
What are the key properties of 2-(4-methylphenyl)piperidine-1-carboxylic acid?
2-(4-methylphenyl)piperidine-1-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 142773311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).