1-(2,6-diethylphenyl)piperidine-4,4-dicarbonitrile

C17H21N3 — CID 117007926

IUPAC1-(2,6-diethylphenyl)piperidine-4,4-dicarbonitrile
SMILESCCc1cccc(CC)c1N1CCC(C#N)(C#N)CC1
InChIInChI=1S/C17H21N3/c1-3-14-6-5-7-15(4-2)16(14)20-10-8-17(12-18,13-19)9-11-20/h5-7H,3-4,8-11H2,1-2H3
InChIKeyISRBWEPQRAAAKR-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.45
Rot. Bonds3

About 1-(2,6-diethylphenyl)piperidine-4,4-dicarbonitrile

1-(2,6-diethylphenyl)piperidine-4,4-dicarbonitrile (PubChem CID 117007926) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)piperidine-4,4-dicarbonitrile.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)piperidine-4,4-dicarbonitrile
PubChem CID117007926
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-(2,6-diethylphenyl)piperidine-4,4-dicarbonitrile
SMILESCCc1cccc(CC)c1N1CCC(C#N)(C#N)CC1
InChIInChI=1S/C17H21N3/c1-3-14-6-5-7-15(4-2)16(14)20-10-8-17(12-18,13-19)9-11-20/h5-7H,3-4,8-11H2,1-2H3
InChIKeyISRBWEPQRAAAKR-UHFFFAOYSA-N
XLogP3.45
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-diethylphenyl)piperidine-4,4-dicarbonitrile 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-(2,6-diethylphenyl)piperidine-4,4-dicarbonitrile?
The IUPAC name of 1-(2,6-diethylphenyl)piperidine-4,4-dicarbonitrile (CID 117007926) is 1-(2,6-diethylphenyl)piperidine-4,4-dicarbonitrile.
What is the SMILES notation for 1-(2,6-diethylphenyl)piperidine-4,4-dicarbonitrile?
The canonical SMILES for 1-(2,6-diethylphenyl)piperidine-4,4-dicarbonitrile is CCc1cccc(CC)c1N1CCC(C#N)(C#N)CC1.
What is the InChIKey of 1-(2,6-diethylphenyl)piperidine-4,4-dicarbonitrile?
The InChIKey is ISRBWEPQRAAAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-14-6-5-7-15(4-2)16(14)20-10-8-17(12-18,13-19)9-11-20/h5-7H,3-4,8-11H2,1-2H3.
What are the key properties of 1-(2,6-diethylphenyl)piperidine-4,4-dicarbonitrile?
1-(2,6-diethylphenyl)piperidine-4,4-dicarbonitrile has a molecular weight of 267.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)piperidine-4,4-dicarbonitrile is sourced from PubChem (CID 117007926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).