1-(2-cyclopropylethyl)piperazine-2-carbonitrile

C10H17N3 — CID 79085569

IUPAC1-(2-cyclopropylethyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1CCC1CC1
InChIInChI=1S/C10H17N3/c11-7-10-8-12-4-6-13(10)5-3-9-1-2-9/h9-10,12H,1-6,8H2
InChIKeyFULUXZOGWISZES-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.58
Rot. Bonds3

About 1-(2-cyclopropylethyl)piperazine-2-carbonitrile

1-(2-cyclopropylethyl)piperazine-2-carbonitrile (PubChem CID 79085569) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)piperazine-2-carbonitrile
PubChem CID79085569
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(2-cyclopropylethyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1CCC1CC1
InChIInChI=1S/C10H17N3/c11-7-10-8-12-4-6-13(10)5-3-9-1-2-9/h9-10,12H,1-6,8H2
InChIKeyFULUXZOGWISZES-UHFFFAOYSA-N
XLogP0.58
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyclopropylethyl)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-cyclopropylethyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(2-cyclopropylethyl)piperazine-2-carbonitrile (CID 79085569) is 1-(2-cyclopropylethyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(2-cyclopropylethyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(2-cyclopropylethyl)piperazine-2-carbonitrile is N#CC1CNCCN1CCC1CC1.
What is the InChIKey of 1-(2-cyclopropylethyl)piperazine-2-carbonitrile?
The InChIKey is FULUXZOGWISZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-7-10-8-12-4-6-13(10)5-3-9-1-2-9/h9-10,12H,1-6,8H2.
What are the key properties of 1-(2-cyclopropylethyl)piperazine-2-carbonitrile?
1-(2-cyclopropylethyl)piperazine-2-carbonitrile has a molecular weight of 179.27 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)piperazine-2-carbonitrile is sourced from PubChem (CID 79085569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).