3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile

C11H20N4 — CID 66196757

IUPAC3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile
SMILESCC(CC#N)N1CC(N2CCNCC2)C1
InChIInChI=1S/C11H20N4/c1-10(2-3-12)15-8-11(9-15)14-6-4-13-5-7-14/h10-11,13H,2,4-9H2,1H3
InChIKeyMQXAYRHXFFLIRG-UHFFFAOYSA-N
MW208.31 g/mol
LogP-0.12
Rot. Bonds3

About 3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile

3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile (PubChem CID 66196757) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile.

Molecular Properties

Compound Name3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile
PubChem CID66196757
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile
SMILESCC(CC#N)N1CC(N2CCNCC2)C1
InChIInChI=1S/C11H20N4/c1-10(2-3-12)15-8-11(9-15)14-6-4-13-5-7-14/h10-11,13H,2,4-9H2,1H3
InChIKeyMQXAYRHXFFLIRG-UHFFFAOYSA-N
XLogP-0.12
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-piperazin-1-ylazetidin-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 3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile?
The IUPAC name of 3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile (CID 66196757) is 3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile.
What is the SMILES notation for 3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile?
The canonical SMILES for 3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile is CC(CC#N)N1CC(N2CCNCC2)C1.
What is the InChIKey of 3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile?
The InChIKey is MQXAYRHXFFLIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-10(2-3-12)15-8-11(9-15)14-6-4-13-5-7-14/h10-11,13H,2,4-9H2,1H3.
What are the key properties of 3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile?
3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile has a molecular weight of 208.31 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperazin-1-ylazetidin-1-yl)butanenitrile is sourced from PubChem (CID 66196757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).