(6E)-6-(piperazin-1-ylmethylidene)cyclohexa-2,4-dien-1-imine

C11H15N3 — CID 155298084

IUPAC(6E)-6-(piperazin-1-ylmethylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C\C1=C/N1CCNCC1
InChIInChI=1S/C11H15N3/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14/h1-4,9,12-13H,5-8H2/b10-9+,12-11+
InChIKeyPQDIZWJKTMFZBZ-HULFFUFUSA-N
MW189.26 g/mol
LogP0.92
Rot. Bonds1

About (6E)-6-(piperazin-1-ylmethylidene)cyclohexa-2,4-dien-1-imine

(6E)-6-(piperazin-1-ylmethylidene)cyclohexa-2,4-dien-1-imine (PubChem CID 155298084) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (6E)-6-(piperazin-1-ylmethylidene)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(6E)-6-(piperazin-1-ylmethylidene)cyclohexa-2,4-dien-1-imine
PubChem CID155298084
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(6E)-6-(piperazin-1-ylmethylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=C\C1=C/N1CCNCC1
InChIInChI=1S/C11H15N3/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14/h1-4,9,12-13H,5-8H2/b10-9+,12-11+
InChIKeyPQDIZWJKTMFZBZ-HULFFUFUSA-N
XLogP0.92
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-(piperazin-1-ylmethylidene)cyclohexa-2,4-dien-1-imine?
The IUPAC name of (6E)-6-(piperazin-1-ylmethylidene)cyclohexa-2,4-dien-1-imine (CID 155298084) is (6E)-6-(piperazin-1-ylmethylidene)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for (6E)-6-(piperazin-1-ylmethylidene)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for (6E)-6-(piperazin-1-ylmethylidene)cyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=C\C1=C/N1CCNCC1.
What is the InChIKey of (6E)-6-(piperazin-1-ylmethylidene)cyclohexa-2,4-dien-1-imine?
The InChIKey is PQDIZWJKTMFZBZ-HULFFUFUSA-N. The full InChI is InChI=1S/C11H15N3/c12-11-4-2-1-3-10(11)9-14-7-5-13-6-8-14/h1-4,9,12-13H,5-8H2/b10-9+,12-11+.
What are the key properties of (6E)-6-(piperazin-1-ylmethylidene)cyclohexa-2,4-dien-1-imine?
(6E)-6-(piperazin-1-ylmethylidene)cyclohexa-2,4-dien-1-imine has a molecular weight of 189.26 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-(piperazin-1-ylmethylidene)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 155298084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).