3-ethyl-1-methylpiperidine-2-carbonitrile

C9H16N2 — CID 12581464

IUPAC3-ethyl-1-methylpiperidine-2-carbonitrile
SMILESCCC1CCCN(C)C1C#N
InChIInChI=1S/C9H16N2/c1-3-8-5-4-6-11(2)9(8)7-10/h8-9H,3-6H2,1-2H3
InChIKeyGFXBEAICVBZRGP-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.63
Rot. Bonds1

About 3-ethyl-1-methylpiperidine-2-carbonitrile

3-ethyl-1-methylpiperidine-2-carbonitrile (PubChem CID 12581464) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-ethyl-1-methylpiperidine-2-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-methylpiperidine-2-carbonitrile
PubChem CID12581464
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-ethyl-1-methylpiperidine-2-carbonitrile
SMILESCCC1CCCN(C)C1C#N
InChIInChI=1S/C9H16N2/c1-3-8-5-4-6-11(2)9(8)7-10/h8-9H,3-6H2,1-2H3
InChIKeyGFXBEAICVBZRGP-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-methylpiperidine-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-methylpiperidine-2-carbonitrile?
The IUPAC name of 3-ethyl-1-methylpiperidine-2-carbonitrile (CID 12581464) is 3-ethyl-1-methylpiperidine-2-carbonitrile.
What is the SMILES notation for 3-ethyl-1-methylpiperidine-2-carbonitrile?
The canonical SMILES for 3-ethyl-1-methylpiperidine-2-carbonitrile is CCC1CCCN(C)C1C#N.
What is the InChIKey of 3-ethyl-1-methylpiperidine-2-carbonitrile?
The InChIKey is GFXBEAICVBZRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-8-5-4-6-11(2)9(8)7-10/h8-9H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-1-methylpiperidine-2-carbonitrile?
3-ethyl-1-methylpiperidine-2-carbonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylpiperidine-2-carbonitrile is sourced from PubChem (CID 12581464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).