1-(5-ethenylcyclohexa-1,5-dien-1-yl)piperazine

C12H18N2 — CID 89340458

IUPAC1-(5-ethenylcyclohexa-1,5-dien-1-yl)piperazine
SMILESC=CC1=CC(N2CCNCC2)=CCC1
InChIInChI=1S/C12H18N2/c1-2-11-4-3-5-12(10-11)14-8-6-13-7-9-14/h2,5,10,13H,1,3-4,6-9H2
InChIKeyYRSRGOKDXLEURS-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.68
Rot. Bonds2

About 1-(5-ethenylcyclohexa-1,5-dien-1-yl)piperazine

1-(5-ethenylcyclohexa-1,5-dien-1-yl)piperazine (PubChem CID 89340458) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(5-ethenylcyclohexa-1,5-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(5-ethenylcyclohexa-1,5-dien-1-yl)piperazine
PubChem CID89340458
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-(5-ethenylcyclohexa-1,5-dien-1-yl)piperazine
SMILESC=CC1=CC(N2CCNCC2)=CCC1
InChIInChI=1S/C12H18N2/c1-2-11-4-3-5-12(10-11)14-8-6-13-7-9-14/h2,5,10,13H,1,3-4,6-9H2
InChIKeyYRSRGOKDXLEURS-UHFFFAOYSA-N
XLogP1.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethenylcyclohexa-1,5-dien-1-yl)piperazine?
The IUPAC name of 1-(5-ethenylcyclohexa-1,5-dien-1-yl)piperazine (CID 89340458) is 1-(5-ethenylcyclohexa-1,5-dien-1-yl)piperazine.
What is the SMILES notation for 1-(5-ethenylcyclohexa-1,5-dien-1-yl)piperazine?
The canonical SMILES for 1-(5-ethenylcyclohexa-1,5-dien-1-yl)piperazine is C=CC1=CC(N2CCNCC2)=CCC1.
What is the InChIKey of 1-(5-ethenylcyclohexa-1,5-dien-1-yl)piperazine?
The InChIKey is YRSRGOKDXLEURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-11-4-3-5-12(10-11)14-8-6-13-7-9-14/h2,5,10,13H,1,3-4,6-9H2.
What are the key properties of 1-(5-ethenylcyclohexa-1,5-dien-1-yl)piperazine?
1-(5-ethenylcyclohexa-1,5-dien-1-yl)piperazine has a molecular weight of 190.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethenylcyclohexa-1,5-dien-1-yl)piperazine is sourced from PubChem (CID 89340458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).