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

C14H19NO2 — CID 4675750

IUPAC1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCc1cccc(CN2CCCCC2C(=O)O)c1
InChIInChI=1S/C14H19NO2/c1-11-5-4-6-12(9-11)10-15-8-3-2-7-13(15)14(16)17/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,16,17)
InChIKeyRMXUHTDULIZIDH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.43
Rot. Bonds3

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

1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 4675750) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID4675750
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCc1cccc(CN2CCCCC2C(=O)O)c1
InChIInChI=1S/C14H19NO2/c1-11-5-4-6-12(9-11)10-15-8-3-2-7-13(15)14(16)17/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,16,17)
InChIKeyRMXUHTDULIZIDH-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid (CID 4675750) is 1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid is Cc1cccc(CN2CCCCC2C(=O)O)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is RMXUHTDULIZIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-5-4-6-12(9-11)10-15-8-3-2-7-13(15)14(16)17/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,16,17).
What are the key properties of 1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid?
1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 4675750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).