4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile

C15H22N4 — CID 63885775

IUPAC4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile
SMILESCC(C)CN1CCN(Cc2ccnc(C#N)c2)CC1
InChIInChI=1S/C15H22N4/c1-13(2)11-18-5-7-19(8-6-18)12-14-3-4-17-15(9-14)10-16/h3-4,9,13H,5-8,11-12H2,1-2H3
InChIKeyHCUBJKLDLWKZBH-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.73
Rot. Bonds4

About 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile

4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 63885775) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID63885775
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile
SMILESCC(C)CN1CCN(Cc2ccnc(C#N)c2)CC1
InChIInChI=1S/C15H22N4/c1-13(2)11-18-5-7-19(8-6-18)12-14-3-4-17-15(9-14)10-16/h3-4,9,13H,5-8,11-12H2,1-2H3
InChIKeyHCUBJKLDLWKZBH-UHFFFAOYSA-N
XLogP1.73
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-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 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile (CID 63885775) is 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile is CC(C)CN1CCN(Cc2ccnc(C#N)c2)CC1.
What is the InChIKey of 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is HCUBJKLDLWKZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-13(2)11-18-5-7-19(8-6-18)12-14-3-4-17-15(9-14)10-16/h3-4,9,13H,5-8,11-12H2,1-2H3.
What are the key properties of 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile?
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63885775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).