2-benzyl-1-methylpiperidine-2-carboxylic acid

C14H19NO2 — CID 84796305

IUPAC2-benzyl-1-methylpiperidine-2-carboxylic acid
SMILESCN1CCCCC1(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO2/c1-15-10-6-5-9-14(15,13(16)17)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H,16,17)
InChIKeyXVEHYMKLWBXCJU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.17
Rot. Bonds3

About 2-benzyl-1-methylpiperidine-2-carboxylic acid

2-benzyl-1-methylpiperidine-2-carboxylic acid (PubChem CID 84796305) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-benzyl-1-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-benzyl-1-methylpiperidine-2-carboxylic acid
PubChem CID84796305
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-benzyl-1-methylpiperidine-2-carboxylic acid
SMILESCN1CCCCC1(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO2/c1-15-10-6-5-9-14(15,13(16)17)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H,16,17)
InChIKeyXVEHYMKLWBXCJU-UHFFFAOYSA-N
XLogP2.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 152697309
2-(2-benzyl-1-methylpyrrolidine-2-carbonyl)oxyacetic acid
CID 67819839
(2S)-2-benzyl-1-(3,3-dimethylbutoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 71391116
(2S)-2-benzyl-1-propylpyrrolidine-2-carboxamide;hydrochloride
CID 67817912
2-ethyl-1-(2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 83080889
(2S)-2-benzyl-2-carbonochloridoylpyrrolidine-1-carboxylic acid
CID 118093412
1-benzyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83070927
(2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 159272717
2-ethyl-1-(1-phenylbutan-2-yl)pyrrolidine-2-carboxylic acid
CID 83079586
1,2-dibenzylpiperazine-2-carboxylic acid
CID 174963480
2-amino-2-benzylpiperidine-1-carboxylic acid
CID 151407806
1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 71298904

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-methylpiperidine-2-carboxylic acid?
The IUPAC name of 2-benzyl-1-methylpiperidine-2-carboxylic acid (CID 84796305) is 2-benzyl-1-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 2-benzyl-1-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 2-benzyl-1-methylpiperidine-2-carboxylic acid is CN1CCCCC1(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-benzyl-1-methylpiperidine-2-carboxylic acid?
The InChIKey is XVEHYMKLWBXCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-10-6-5-9-14(15,13(16)17)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H,16,17).
What are the key properties of 2-benzyl-1-methylpiperidine-2-carboxylic acid?
2-benzyl-1-methylpiperidine-2-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 84796305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).