1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid

C15H18N2O2 — CID 55165697

IUPAC1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2ccc(C#N)cc2)C1
InChIInChI=1S/C15H18N2O2/c1-2-15(14(18)19)8-3-9-17(11-15)13-6-4-12(10-16)5-7-13/h4-7H,2-3,8-9,11H2,1H3,(H,18,19)
InChIKeyIRTSDEVLOJNVJP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.64
Rot. Bonds3

About 1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid

1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid (PubChem CID 55165697) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid
PubChem CID55165697
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(c2ccc(C#N)cc2)C1
InChIInChI=1S/C15H18N2O2/c1-2-15(14(18)19)8-3-9-17(11-15)13-6-4-12(10-16)5-7-13/h4-7H,2-3,8-9,11H2,1H3,(H,18,19)
InChIKeyIRTSDEVLOJNVJP-UHFFFAOYSA-N
XLogP2.64
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyanophenyl)-3-ethylpiperidine-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-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid (CID 55165697) is 1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(c2ccc(C#N)cc2)C1.
What is the InChIKey of 1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is IRTSDEVLOJNVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-15(14(18)19)8-3-9-17(11-15)13-6-4-12(10-16)5-7-13/h4-7H,2-3,8-9,11H2,1H3,(H,18,19).
What are the key properties of 1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid?
1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 55165697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).