1-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)piperazine

C12H16N2 — CID 123864361

IUPAC1-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)piperazine
SMILESC=c1ccc(N2CCNCC2)cc1=C
InChIInChI=1S/C12H16N2/c1-10-3-4-12(9-11(10)2)14-7-5-13-6-8-14/h3-4,9,13H,1-2,5-8H2
InChIKeyZVDMQCNQJCDOPC-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.08
Rot. Bonds1

About 1-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)piperazine

1-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)piperazine (PubChem CID 123864361) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)piperazine
PubChem CID123864361
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)piperazine
SMILESC=c1ccc(N2CCNCC2)cc1=C
InChIInChI=1S/C12H16N2/c1-10-3-4-12(9-11(10)2)14-7-5-13-6-8-14/h3-4,9,13H,1-2,5-8H2
InChIKeyZVDMQCNQJCDOPC-UHFFFAOYSA-N
XLogP-0.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)piperazine?
The IUPAC name of 1-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)piperazine (CID 123864361) is 1-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)piperazine.
What is the SMILES notation for 1-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)piperazine?
The canonical SMILES for 1-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)piperazine is C=c1ccc(N2CCNCC2)cc1=C.
What is the InChIKey of 1-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)piperazine?
The InChIKey is ZVDMQCNQJCDOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-10-3-4-12(9-11(10)2)14-7-5-13-6-8-14/h3-4,9,13H,1-2,5-8H2.
What are the key properties of 1-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)piperazine?
1-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)piperazine has a molecular weight of 188.27 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)piperazine is sourced from PubChem (CID 123864361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).