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

C11H15N3 — CID 142349281

IUPAC6-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile
SMILESN#CC1=CCCC=C1N1CCNCC1
InChIInChI=1S/C11H15N3/c12-9-10-3-1-2-4-11(10)14-7-5-13-6-8-14/h3-4,13H,1-2,5-8H2
InChIKeyXLFQPSRDYLXNSF-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.02
Rot. Bonds1

About 6-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile

6-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile (PubChem CID 142349281) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 6-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile.

Molecular Properties

Compound Name6-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile
PubChem CID142349281
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name6-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile
SMILESN#CC1=CCCC=C1N1CCNCC1
InChIInChI=1S/C11H15N3/c12-9-10-3-1-2-4-11(10)14-7-5-13-6-8-14/h3-4,13H,1-2,5-8H2
InChIKeyXLFQPSRDYLXNSF-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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Related Compounds

2-[2,6-Dimethyl-1-(2-piperazin-1-ylethyl)pyridin-4-ylidene]propanedinitrile
CID 3655440
6-(Dimethylamino)-3-fluoro-4-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile
CID 163768903
5-Amino-4-(propylamino)cyclohexa-1,5-diene-1-carbonitrile
CID 89014244
(4S)-5-amino-4-(propylamino)cyclohexa-1,5-diene-1-carbonitrile
CID 89335511
2-Ethylidene-3-piperazin-1-ylpent-3-enenitrile
CID 123164348
1-(3,4-Dimethylidenecyclohexa-1,5-dien-1-yl)piperazine
CID 123864361
4-(1-Piperazin-1-ylethenyl)cyclohexa-2,4-dien-1-amine
CID 132096194
2-Piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile
CID 142349232
(3E)-2-methylidene-3-piperazin-1-ylhexa-3,5-dienenitrile
CID 142349234
ethene;(E)-2-methylidene-3-piperazin-1-ylpent-3-enenitrile
CID 142349299
2-(3-Methylpiperazin-1-yl)cyclohexa-1,5-diene-1-carbonitrile
CID 142349322
1-[(E)-1-(5-ethenyl-1,2,3,6-tetrahydropyridin-4-yl)prop-1-enyl]-4-methylpiperazine
CID 142416840

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile?
The IUPAC name of 6-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile (CID 142349281) is 6-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile.
What is the SMILES notation for 6-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile?
The canonical SMILES for 6-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile is N#CC1=CCCC=C1N1CCNCC1.
What is the InChIKey of 6-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile?
The InChIKey is XLFQPSRDYLXNSF-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/h3-4,13H,1-2,5-8H2.
What are the key properties of 6-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile?
6-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 6-piperazin-1-ylcyclohexa-1,5-diene-1-carbonitrile is sourced from PubChem (CID 142349281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).