3-[4-[2-[bis(2-cyanoethyl)amino]ethyl]piperazin-1-yl]propanenitrile

C15H24N6 — CID 15074371

IUPAC3-[4-[2-[bis(2-cyanoethyl)amino]ethyl]piperazin-1-yl]propanenitrile
SMILESN#CCCN(CCC#N)CCN1CCN(CCC#N)CC1
InChIInChI=1S/C15H24N6/c16-4-1-7-19(8-2-5-17)10-13-21-14-11-20(12-15-21)9-3-6-18/h1-3,7-15H2
InChIKeyXZDAPIPMBNXWTE-UHFFFAOYSA-N
MW288.40 g/mol
LogP0.65
Rot. Bonds9

About 3-[4-[2-[bis(2-cyanoethyl)amino]ethyl]piperazin-1-yl]propanenitrile

3-[4-[2-[bis(2-cyanoethyl)amino]ethyl]piperazin-1-yl]propanenitrile (PubChem CID 15074371) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 3-[4-[2-[bis(2-cyanoethyl)amino]ethyl]piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-[2-[bis(2-cyanoethyl)amino]ethyl]piperazin-1-yl]propanenitrile
PubChem CID15074371
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name3-[4-[2-[bis(2-cyanoethyl)amino]ethyl]piperazin-1-yl]propanenitrile
SMILESN#CCCN(CCC#N)CCN1CCN(CCC#N)CC1
InChIInChI=1S/C15H24N6/c16-4-1-7-19(8-2-5-17)10-13-21-14-11-20(12-15-21)9-3-6-18/h1-3,7-15H2
InChIKeyXZDAPIPMBNXWTE-UHFFFAOYSA-N
XLogP0.65
TPSA81.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[bis(2-cyanoethyl)amino]ethyl]piperazin-1-yl]propanenitrile?
The IUPAC name of 3-[4-[2-[bis(2-cyanoethyl)amino]ethyl]piperazin-1-yl]propanenitrile (CID 15074371) is 3-[4-[2-[bis(2-cyanoethyl)amino]ethyl]piperazin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-[2-[bis(2-cyanoethyl)amino]ethyl]piperazin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-[2-[bis(2-cyanoethyl)amino]ethyl]piperazin-1-yl]propanenitrile is N#CCCN(CCC#N)CCN1CCN(CCC#N)CC1.
What is the InChIKey of 3-[4-[2-[bis(2-cyanoethyl)amino]ethyl]piperazin-1-yl]propanenitrile?
The InChIKey is XZDAPIPMBNXWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c16-4-1-7-19(8-2-5-17)10-13-21-14-11-20(12-15-21)9-3-6-18/h1-3,7-15H2.
What are the key properties of 3-[4-[2-[bis(2-cyanoethyl)amino]ethyl]piperazin-1-yl]propanenitrile?
3-[4-[2-[bis(2-cyanoethyl)amino]ethyl]piperazin-1-yl]propanenitrile has a molecular weight of 288.40 g/mol, XLogP of 0.65, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[bis(2-cyanoethyl)amino]ethyl]piperazin-1-yl]propanenitrile is sourced from PubChem (CID 15074371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).