6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile

C13H18N4 — CID 64589189

IUPAC6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESCC(N)C1CCCCN1c1cccc(C#N)n1
InChIInChI=1S/C13H18N4/c1-10(15)12-6-2-3-8-17(12)13-7-4-5-11(9-14)16-13/h4-5,7,10,12H,2-3,6,8,15H2,1H3
InChIKeyWRCNRMRUNXNSAR-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.66
Rot. Bonds2

About 6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile

6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 64589189) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID64589189
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
SMILESCC(N)C1CCCCN1c1cccc(C#N)n1
InChIInChI=1S/C13H18N4/c1-10(15)12-6-2-3-8-17(12)13-7-4-5-11(9-14)16-13/h4-5,7,10,12H,2-3,6,8,15H2,1H3
InChIKeyWRCNRMRUNXNSAR-UHFFFAOYSA-N
XLogP1.66
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-(1-aminoethyl)piperidin-1-yl]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 6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile (CID 64589189) is 6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile is CC(N)C1CCCCN1c1cccc(C#N)n1.
What is the InChIKey of 6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is WRCNRMRUNXNSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10(15)12-6-2-3-8-17(12)13-7-4-5-11(9-14)16-13/h4-5,7,10,12H,2-3,6,8,15H2,1H3.
What are the key properties of 6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile?
6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 64589189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).