3-(2-ethylpiperidin-1-yl)propanenitrile

C10H18N2 — CID 6422984

IUPAC3-(2-ethylpiperidin-1-yl)propanenitrile
SMILESCCC1CCCCN1CCC#N
InChIInChI=1S/C10H18N2/c1-2-10-6-3-4-8-12(10)9-5-7-11/h10H,2-6,8-9H2,1H3
InChIKeyXHQLAKPJRAWDES-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.16
Rot. Bonds3

About 3-(2-ethylpiperidin-1-yl)propanenitrile

3-(2-ethylpiperidin-1-yl)propanenitrile (PubChem CID 6422984) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)propanenitrile
PubChem CID6422984
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-(2-ethylpiperidin-1-yl)propanenitrile
SMILESCCC1CCCCN1CCC#N
InChIInChI=1S/C10H18N2/c1-2-10-6-3-4-8-12(10)9-5-7-11/h10H,2-6,8-9H2,1H3
InChIKeyXHQLAKPJRAWDES-UHFFFAOYSA-N
XLogP2.16
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2-ethylpiperidin-1-yl)propanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

Methylconiine
CID 169683
1,2,6-Trimethylpiperidine
CID 107328
2-Methyl-2-piperidin-1-ylpropanenitrile
CID 288882
Piperidinium, 1,1-diethyl-2,6-dimethyl-, bromide
CID 86823
1-(2-Cyanoethyl)-2-pipecoline
CID 574530
1-Methyl-2-propylpiperidine
CID 338921
1-Ethyl-2-methylpiperidine
CID 522625
(2S,6S)-1,2,6-trimethylpiperidine
CID 642614
(2R,6S)-1,2,6-trimethylpiperidine
CID 642615
2-(2-Methylpiperidin-1-yl)acetonitrile
CID 22688889
Methylconiine, (R)-
CID 10866430
2-Ethyl-1-methylpiperidine
CID 287920

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)propanenitrile?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)propanenitrile (CID 6422984) is 3-(2-ethylpiperidin-1-yl)propanenitrile.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)propanenitrile?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)propanenitrile is CCC1CCCCN1CCC#N.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)propanenitrile?
The InChIKey is XHQLAKPJRAWDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-10-6-3-4-8-12(10)9-5-7-11/h10H,2-6,8-9H2,1H3.
What are the key properties of 3-(2-ethylpiperidin-1-yl)propanenitrile?
3-(2-ethylpiperidin-1-yl)propanenitrile has a molecular weight of 166.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)propanenitrile is sourced from PubChem (CID 6422984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).