3-ethyl-1,2-dimethylpiperidine-2-carbonitrile

C10H18N2 — CID 12581497

IUPAC3-ethyl-1,2-dimethylpiperidine-2-carbonitrile
SMILESCCC1CCCN(C)C1(C)C#N
InChIInChI=1S/C10H18N2/c1-4-9-6-5-7-12(3)10(9,2)8-11/h9H,4-7H2,1-3H3
InChIKeyJKSPMVBEIJTKOC-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.02
Rot. Bonds1

About 3-ethyl-1,2-dimethylpiperidine-2-carbonitrile

3-ethyl-1,2-dimethylpiperidine-2-carbonitrile (PubChem CID 12581497) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-ethyl-1,2-dimethylpiperidine-2-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1,2-dimethylpiperidine-2-carbonitrile
PubChem CID12581497
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-ethyl-1,2-dimethylpiperidine-2-carbonitrile
SMILESCCC1CCCN(C)C1(C)C#N
InChIInChI=1S/C10H18N2/c1-4-9-6-5-7-12(3)10(9,2)8-11/h9H,4-7H2,1-3H3
InChIKeyJKSPMVBEIJTKOC-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1,2-dimethylpiperidine-2-carbonitrile 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 3-ethyl-1,2-dimethylpiperidine-2-carbonitrile?
The IUPAC name of 3-ethyl-1,2-dimethylpiperidine-2-carbonitrile (CID 12581497) is 3-ethyl-1,2-dimethylpiperidine-2-carbonitrile.
What is the SMILES notation for 3-ethyl-1,2-dimethylpiperidine-2-carbonitrile?
The canonical SMILES for 3-ethyl-1,2-dimethylpiperidine-2-carbonitrile is CCC1CCCN(C)C1(C)C#N.
What is the InChIKey of 3-ethyl-1,2-dimethylpiperidine-2-carbonitrile?
The InChIKey is JKSPMVBEIJTKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-9-6-5-7-12(3)10(9,2)8-11/h9H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-1,2-dimethylpiperidine-2-carbonitrile?
3-ethyl-1,2-dimethylpiperidine-2-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-dimethylpiperidine-2-carbonitrile is sourced from PubChem (CID 12581497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).