2-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile

C11H15N3 — CID 142349232

IUPAC2-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile
SMILESN#CC1=C(N2CCNCC2)CCC=C1
InChIInChI=1S/C11H15N3/c12-9-10-3-1-2-4-11(10)14-7-5-13-6-8-14/h1,3,13H,2,4-8H2
InChIKeyQOKSAPVLASCMMD-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.02
Rot. Bonds1

About 2-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile

2-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile (PubChem CID 142349232) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile.

Molecular Properties

Compound Name2-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile
PubChem CID142349232
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile
SMILESN#CC1=C(N2CCNCC2)CCC=C1
InChIInChI=1S/C11H15N3/c12-9-10-3-1-2-4-11(10)14-7-5-13-6-8-14/h1,3,13H,2,4-8H2
InChIKeyQOKSAPVLASCMMD-UHFFFAOYSA-N
XLogP1.02
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile?
The IUPAC name of 2-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile (CID 142349232) is 2-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile.
What is the SMILES notation for 2-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile?
The canonical SMILES for 2-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile is N#CC1=C(N2CCNCC2)CCC=C1.
What is the InChIKey of 2-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile?
The InChIKey is QOKSAPVLASCMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c12-9-10-3-1-2-4-11(10)14-7-5-13-6-8-14/h1,3,13H,2,4-8H2.
What are the key properties of 2-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile?
2-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile has a molecular weight of 189.26 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile is sourced from PubChem (CID 142349232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).