2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid

C15H21NO2 — CID 106745213

IUPAC2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1CN1CCC(C(=O)O)CC1C
InChIInChI=1S/C15H21NO2/c1-11-5-3-4-6-14(11)10-16-8-7-13(15(17)18)9-12(16)2/h3-6,12-13H,7-10H2,1-2H3,(H,17,18)
InChIKeyURUQQJKJOPRTQQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.68
Rot. Bonds3

About 2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid

2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid (PubChem CID 106745213) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
PubChem CID106745213
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1CN1CCC(C(=O)O)CC1C
InChIInChI=1S/C15H21NO2/c1-11-5-3-4-6-14(11)10-16-8-7-13(15(17)18)9-12(16)2/h3-6,12-13H,7-10H2,1-2H3,(H,17,18)
InChIKeyURUQQJKJOPRTQQ-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 106742049
2-methyl-1-[(2-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 79371567
1-(1-benzofuran-3-ylmethyl)-2-methylpiperidine-4-carboxylic acid
CID 106745617
1-[(2-chloro-4-methylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106865365
1-[(2-methylphenyl)methyl]-2-oxopiperidine-4-carboxylic acid
CID 116837741
2-methyl-1-[(2-methyl-1H-indol-3-yl)methyl]piperidine-4-carboxylic acid
CID 106745309
1-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745111
1-[(3-hydroxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745067
1-[(4-bromo-2-chlorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744992
1-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745083
1-(1-benzyl-2-methylpiperidin-4-yl)-2-(2-fluorophenyl)ethanone
CID 22248253
2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 106745081

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid (CID 106745213) is 2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid is Cc1ccccc1CN1CCC(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is URUQQJKJOPRTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-5-3-4-6-14(11)10-16-8-7-13(15(17)18)9-12(16)2/h3-6,12-13H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid?
2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106745213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).