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

C15H21NO2 — CID 113431089

IUPAC2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCc1cccc(CN2CCCCC2(C)C(=O)O)c1
InChIInChI=1S/C15H21NO2/c1-12-6-5-7-13(10-12)11-16-9-4-3-8-15(16,2)14(17)18/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,17,18)
InChIKeyMCQPRWYROHZSJQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.82
Rot. Bonds3

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

2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 113431089) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID113431089
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCc1cccc(CN2CCCCC2(C)C(=O)O)c1
InChIInChI=1S/C15H21NO2/c1-12-6-5-7-13(10-12)11-16-9-4-3-8-15(16,2)14(17)18/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,17,18)
InChIKeyMCQPRWYROHZSJQ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 104598930
1-(1,3-benzodioxol-5-ylmethyl)-2-methylpiperidine-2-carboxylic acid
CID 104598777
2-methyl-1-[3-(3-methylphenoxy)propyl]piperidine-2-carboxylic acid
CID 104598488
1-benzyl-2-methylpiperidine-2-carboxylate
CID 71434868
1-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 104599035
1-[(3-chloro-5-fluorophenyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 114454983
2-methyl-1-[(4-propoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 104599147
lithium (2R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-2-carboxylate
CID 159928526
1-[(3-bromofuran-2-yl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 106889590
1-[(4-cyclopropylphenyl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 79976831
3-[(2,2-dimethylpyrrolidin-1-yl)methyl]benzoic acid
CID 63219968
2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79058182

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid (CID 113431089) is 2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid is Cc1cccc(CN2CCCCC2(C)C(=O)O)c1.
What is the InChIKey of 2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is MCQPRWYROHZSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-6-5-7-13(10-12)11-16-9-4-3-8-15(16,2)14(17)18/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid?
2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 113431089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).