2-piperazin-1-ylbutanenitrile

C8H15N3 — CID 18623164

IUPAC2-piperazin-1-ylbutanenitrile
SMILESCCC(C#N)N1CCNCC1
InChIInChI=1S/C8H15N3/c1-2-8(7-9)11-5-3-10-4-6-11/h8,10H,2-6H2,1H3
InChIKeyIIBCKNQGNBMVNH-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.19
Rot. Bonds2

About 2-piperazin-1-ylbutanenitrile

2-piperazin-1-ylbutanenitrile (PubChem CID 18623164) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-piperazin-1-ylbutanenitrile.

Molecular Properties

Compound Name2-piperazin-1-ylbutanenitrile
PubChem CID18623164
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-piperazin-1-ylbutanenitrile
SMILESCCC(C#N)N1CCNCC1
InChIInChI=1S/C8H15N3/c1-2-8(7-9)11-5-3-10-4-6-11/h8,10H,2-6H2,1H3
InChIKeyIIBCKNQGNBMVNH-UHFFFAOYSA-N
XLogP0.19
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylbutanenitrile?
The IUPAC name of 2-piperazin-1-ylbutanenitrile (CID 18623164) is 2-piperazin-1-ylbutanenitrile.
What is the SMILES notation for 2-piperazin-1-ylbutanenitrile?
The canonical SMILES for 2-piperazin-1-ylbutanenitrile is CCC(C#N)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylbutanenitrile?
The InChIKey is IIBCKNQGNBMVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-8(7-9)11-5-3-10-4-6-11/h8,10H,2-6H2,1H3.
What are the key properties of 2-piperazin-1-ylbutanenitrile?
2-piperazin-1-ylbutanenitrile has a molecular weight of 153.23 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylbutanenitrile is sourced from PubChem (CID 18623164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).