1-(1-cyclohexa-2,4-dien-1-ylethyl)piperidine-3-carboxylic acid

C14H21NO2 — CID 123612251

IUPAC1-(1-cyclohexa-2,4-dien-1-ylethyl)piperidine-3-carboxylic acid
SMILESCC(C1C=CC=CC1)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H21NO2/c1-11(12-6-3-2-4-7-12)15-9-5-8-13(10-15)14(16)17/h2-4,6,11-13H,5,7-10H2,1H3,(H,16,17)
InChIKeyVIGGMQHQOWULCW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.30
Rot. Bonds3

About 1-(1-cyclohexa-2,4-dien-1-ylethyl)piperidine-3-carboxylic acid

1-(1-cyclohexa-2,4-dien-1-ylethyl)piperidine-3-carboxylic acid (PubChem CID 123612251) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(1-cyclohexa-2,4-dien-1-ylethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclohexa-2,4-dien-1-ylethyl)piperidine-3-carboxylic acid
PubChem CID123612251
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(1-cyclohexa-2,4-dien-1-ylethyl)piperidine-3-carboxylic acid
SMILESCC(C1C=CC=CC1)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H21NO2/c1-11(12-6-3-2-4-7-12)15-9-5-8-13(10-15)14(16)17/h2-4,6,11-13H,5,7-10H2,1H3,(H,16,17)
InChIKeyVIGGMQHQOWULCW-UHFFFAOYSA-N
XLogP2.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-cyclohexa-2,4-dien-1-ylethyl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexa-2,4-dien-1-ylethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclohexa-2,4-dien-1-ylethyl)piperidine-3-carboxylic acid (CID 123612251) is 1-(1-cyclohexa-2,4-dien-1-ylethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclohexa-2,4-dien-1-ylethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclohexa-2,4-dien-1-ylethyl)piperidine-3-carboxylic acid is CC(C1C=CC=CC1)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(1-cyclohexa-2,4-dien-1-ylethyl)piperidine-3-carboxylic acid?
The InChIKey is VIGGMQHQOWULCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(12-6-3-2-4-7-12)15-9-5-8-13(10-15)14(16)17/h2-4,6,11-13H,5,7-10H2,1H3,(H,16,17).
What are the key properties of 1-(1-cyclohexa-2,4-dien-1-ylethyl)piperidine-3-carboxylic acid?
1-(1-cyclohexa-2,4-dien-1-ylethyl)piperidine-3-carboxylic acid has a molecular weight of 235.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexa-2,4-dien-1-ylethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 123612251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).