3-cyclohexyl-2-(4-methylpiperazin-1-yl)propanenitrile

C14H25N3 — CID 58786647

IUPAC3-cyclohexyl-2-(4-methylpiperazin-1-yl)propanenitrile
SMILESCN1CCN(C(C#N)CC2CCCCC2)CC1
InChIInChI=1S/C14H25N3/c1-16-7-9-17(10-8-16)14(12-15)11-13-5-3-2-4-6-13/h13-14H,2-11H2,1H3
InChIKeyJZKPAYFFOQYJIN-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.10
Rot. Bonds3

About 3-cyclohexyl-2-(4-methylpiperazin-1-yl)propanenitrile

3-cyclohexyl-2-(4-methylpiperazin-1-yl)propanenitrile (PubChem CID 58786647) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-cyclohexyl-2-(4-methylpiperazin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-cyclohexyl-2-(4-methylpiperazin-1-yl)propanenitrile
PubChem CID58786647
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3-cyclohexyl-2-(4-methylpiperazin-1-yl)propanenitrile
SMILESCN1CCN(C(C#N)CC2CCCCC2)CC1
InChIInChI=1S/C14H25N3/c1-16-7-9-17(10-8-16)14(12-15)11-13-5-3-2-4-6-13/h13-14H,2-11H2,1H3
InChIKeyJZKPAYFFOQYJIN-UHFFFAOYSA-N
XLogP2.10
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyclohexyl-2-(4-methylpiperazin-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

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(4-methylpiperazin-1-yl)propanenitrile?
The IUPAC name of 3-cyclohexyl-2-(4-methylpiperazin-1-yl)propanenitrile (CID 58786647) is 3-cyclohexyl-2-(4-methylpiperazin-1-yl)propanenitrile.
What is the SMILES notation for 3-cyclohexyl-2-(4-methylpiperazin-1-yl)propanenitrile?
The canonical SMILES for 3-cyclohexyl-2-(4-methylpiperazin-1-yl)propanenitrile is CN1CCN(C(C#N)CC2CCCCC2)CC1.
What is the InChIKey of 3-cyclohexyl-2-(4-methylpiperazin-1-yl)propanenitrile?
The InChIKey is JZKPAYFFOQYJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-16-7-9-17(10-8-16)14(12-15)11-13-5-3-2-4-6-13/h13-14H,2-11H2,1H3.
What are the key properties of 3-cyclohexyl-2-(4-methylpiperazin-1-yl)propanenitrile?
3-cyclohexyl-2-(4-methylpiperazin-1-yl)propanenitrile has a molecular weight of 235.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(4-methylpiperazin-1-yl)propanenitrile is sourced from PubChem (CID 58786647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).