2-methyl-2-[4-(4-methylcyclohexyl)piperazin-1-yl]propanenitrile

C15H27N3 — CID 64748689

IUPAC2-methyl-2-[4-(4-methylcyclohexyl)piperazin-1-yl]propanenitrile
SMILESCC1CCC(N2CCN(C(C)(C)C#N)CC2)CC1
InChIInChI=1S/C15H27N3/c1-13-4-6-14(7-5-13)17-8-10-18(11-9-17)15(2,3)12-16/h13-14H,4-11H2,1-3H3
InChIKeyBSXCFFHLEAUFPA-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.48
Rot. Bonds2

About 2-methyl-2-[4-(4-methylcyclohexyl)piperazin-1-yl]propanenitrile

2-methyl-2-[4-(4-methylcyclohexyl)piperazin-1-yl]propanenitrile (PubChem CID 64748689) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-2-[4-(4-methylcyclohexyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-(4-methylcyclohexyl)piperazin-1-yl]propanenitrile
PubChem CID64748689
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-methyl-2-[4-(4-methylcyclohexyl)piperazin-1-yl]propanenitrile
SMILESCC1CCC(N2CCN(C(C)(C)C#N)CC2)CC1
InChIInChI=1S/C15H27N3/c1-13-4-6-14(7-5-13)17-8-10-18(11-9-17)15(2,3)12-16/h13-14H,4-11H2,1-3H3
InChIKeyBSXCFFHLEAUFPA-UHFFFAOYSA-N
XLogP2.48
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[4-(4-methylcyclohexyl)piperazin-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 2-methyl-2-[4-(4-methylcyclohexyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-(4-methylcyclohexyl)piperazin-1-yl]propanenitrile (CID 64748689) is 2-methyl-2-[4-(4-methylcyclohexyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-(4-methylcyclohexyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-(4-methylcyclohexyl)piperazin-1-yl]propanenitrile is CC1CCC(N2CCN(C(C)(C)C#N)CC2)CC1.
What is the InChIKey of 2-methyl-2-[4-(4-methylcyclohexyl)piperazin-1-yl]propanenitrile?
The InChIKey is BSXCFFHLEAUFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13-4-6-14(7-5-13)17-8-10-18(11-9-17)15(2,3)12-16/h13-14H,4-11H2,1-3H3.
What are the key properties of 2-methyl-2-[4-(4-methylcyclohexyl)piperazin-1-yl]propanenitrile?
2-methyl-2-[4-(4-methylcyclohexyl)piperazin-1-yl]propanenitrile has a molecular weight of 249.40 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(4-methylcyclohexyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 64748689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).