4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile

C15H22N4 — CID 63880798

IUPAC4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile
SMILESCCCN(Cc1ccnc(C#N)c1)C1CCNCC1
InChIInChI=1S/C15H22N4/c1-2-9-19(15-4-6-17-7-5-15)12-13-3-8-18-14(10-13)11-16/h3,8,10,15,17H,2,4-7,9,12H2,1H3
InChIKeyWUDDRDAUFDHJGT-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.92
Rot. Bonds5

About 4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile

4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 63880798) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID63880798
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile
SMILESCCCN(Cc1ccnc(C#N)c1)C1CCNCC1
InChIInChI=1S/C15H22N4/c1-2-9-19(15-4-6-17-7-5-15)12-13-3-8-18-14(10-13)11-16/h3,8,10,15,17H,2,4-7,9,12H2,1H3
InChIKeyWUDDRDAUFDHJGT-UHFFFAOYSA-N
XLogP1.92
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[piperidin-4-yl(propyl)amino]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-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile (CID 63880798) is 4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile is CCCN(Cc1ccnc(C#N)c1)C1CCNCC1.
What is the InChIKey of 4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is WUDDRDAUFDHJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-2-9-19(15-4-6-17-7-5-15)12-13-3-8-18-14(10-13)11-16/h3,8,10,15,17H,2,4-7,9,12H2,1H3.
What are the key properties of 4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile?
4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63880798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).