1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2-carbonitrile

C13H24N4 — CID 79085851

IUPAC1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2-carbonitrile
SMILESCN1CCCCC1CCN1CCNCC1C#N
InChIInChI=1S/C13H24N4/c1-16-7-3-2-4-12(16)5-8-17-9-6-15-11-13(17)10-14/h12-13,15H,2-9,11H2,1H3
InChIKeyWOEPUHPGXWYPJU-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.66
Rot. Bonds3

About 1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2-carbonitrile

1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2-carbonitrile (PubChem CID 79085851) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2-carbonitrile
PubChem CID79085851
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2-carbonitrile
SMILESCN1CCCCC1CCN1CCNCC1C#N
InChIInChI=1S/C13H24N4/c1-16-7-3-2-4-12(16)5-8-17-9-6-15-11-13(17)10-14/h12-13,15H,2-9,11H2,1H3
InChIKeyWOEPUHPGXWYPJU-UHFFFAOYSA-N
XLogP0.66
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-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 1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2-carbonitrile (CID 79085851) is 1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2-carbonitrile is CN1CCCCC1CCN1CCNCC1C#N.
What is the InChIKey of 1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2-carbonitrile?
The InChIKey is WOEPUHPGXWYPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-16-7-3-2-4-12(16)5-8-17-9-6-15-11-13(17)10-14/h12-13,15H,2-9,11H2,1H3.
What are the key properties of 1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2-carbonitrile?
1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2-carbonitrile has a molecular weight of 236.36 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2-carbonitrile is sourced from PubChem (CID 79085851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).