4-(4-ethylpiperazin-1-yl)butanenitrile

C10H19N3 — CID 24705469

IUPAC4-(4-ethylpiperazin-1-yl)butanenitrile
SMILESCCN1CCN(CCCC#N)CC1
InChIInChI=1S/C10H19N3/c1-2-12-7-9-13(10-8-12)6-4-3-5-11/h2-4,6-10H2,1H3
InChIKeyHMAZVCXFIIRDCZ-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.93
Rot. Bonds4

About 4-(4-ethylpiperazin-1-yl)butanenitrile

4-(4-ethylpiperazin-1-yl)butanenitrile (PubChem CID 24705469) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)butanenitrile.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)butanenitrile
PubChem CID24705469
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-(4-ethylpiperazin-1-yl)butanenitrile
SMILESCCN1CCN(CCCC#N)CC1
InChIInChI=1S/C10H19N3/c1-2-12-7-9-13(10-8-12)6-4-3-5-11/h2-4,6-10H2,1H3
InChIKeyHMAZVCXFIIRDCZ-UHFFFAOYSA-N
XLogP0.93
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-ethylpiperazin-1-yl)butanenitrile 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-ethylpiperazin-1-yl)butanenitrile?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)butanenitrile (CID 24705469) is 4-(4-ethylpiperazin-1-yl)butanenitrile.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)butanenitrile?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)butanenitrile is CCN1CCN(CCCC#N)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)butanenitrile?
The InChIKey is HMAZVCXFIIRDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-2-12-7-9-13(10-8-12)6-4-3-5-11/h2-4,6-10H2,1H3.
What are the key properties of 4-(4-ethylpiperazin-1-yl)butanenitrile?
4-(4-ethylpiperazin-1-yl)butanenitrile has a molecular weight of 181.28 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)butanenitrile is sourced from PubChem (CID 24705469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).