3-(1-ethylpiperazin-2-yl)propanenitrile

C9H17N3 — CID 91226524

IUPAC3-(1-ethylpiperazin-2-yl)propanenitrile
SMILESCCN1CCNCC1CCC#N
InChIInChI=1S/C9H17N3/c1-2-12-7-6-11-8-9(12)4-3-5-10/h9,11H,2-4,6-8H2,1H3
InChIKeyYUSUKZIZOCAUEX-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.58
Rot. Bonds3

About 3-(1-ethylpiperazin-2-yl)propanenitrile

3-(1-ethylpiperazin-2-yl)propanenitrile (PubChem CID 91226524) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-(1-ethylpiperazin-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(1-ethylpiperazin-2-yl)propanenitrile
PubChem CID91226524
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-(1-ethylpiperazin-2-yl)propanenitrile
SMILESCCN1CCNCC1CCC#N
InChIInChI=1S/C9H17N3/c1-2-12-7-6-11-8-9(12)4-3-5-10/h9,11H,2-4,6-8H2,1H3
InChIKeyYUSUKZIZOCAUEX-UHFFFAOYSA-N
XLogP0.58
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperazin-2-yl)propanenitrile?
The IUPAC name of 3-(1-ethylpiperazin-2-yl)propanenitrile (CID 91226524) is 3-(1-ethylpiperazin-2-yl)propanenitrile.
What is the SMILES notation for 3-(1-ethylpiperazin-2-yl)propanenitrile?
The canonical SMILES for 3-(1-ethylpiperazin-2-yl)propanenitrile is CCN1CCNCC1CCC#N.
What is the InChIKey of 3-(1-ethylpiperazin-2-yl)propanenitrile?
The InChIKey is YUSUKZIZOCAUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-2-12-7-6-11-8-9(12)4-3-5-10/h9,11H,2-4,6-8H2,1H3.
What are the key properties of 3-(1-ethylpiperazin-2-yl)propanenitrile?
3-(1-ethylpiperazin-2-yl)propanenitrile has a molecular weight of 167.26 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 3-(1-ethylpiperazin-2-yl)propanenitrile is sourced from PubChem (CID 91226524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).