1-cyclohexa-1,5-dien-1-ylpiperazine

C10H16N2 — CID 66776245

IUPAC1-cyclohexa-1,5-dien-1-ylpiperazine
SMILESC1=CC(N2CCNCC2)=CCC1
InChIInChI=1S/C10H16N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h2,4-5,11H,1,3,6-9H2
InChIKeyIIPJCMIZEYVZDE-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.13
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-ylpiperazine

1-cyclohexa-1,5-dien-1-ylpiperazine (PubChem CID 66776245) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-ylpiperazine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-ylpiperazine
PubChem CID66776245
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-cyclohexa-1,5-dien-1-ylpiperazine
SMILESC1=CC(N2CCNCC2)=CCC1
InChIInChI=1S/C10H16N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h2,4-5,11H,1,3,6-9H2
InChIKeyIIPJCMIZEYVZDE-UHFFFAOYSA-N
XLogP1.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Hexahydroquinoxaline
CID 69378669
N-methyltetrahydroquinoxaline
CID 129794484
1-(6-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 67558052
1-(1-Fluorocyclohexa-2,4-dien-1-yl)piperazine
CID 70542288
1-(4-Fluorocyclohexa-1,5-dien-1-yl)piperazine
CID 89140548
(1S)-3-fluoro-4-(3-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-amine
CID 89473881
3-Fluoro-4-(3-methylpiperazin-1-yl)cyclohexa-2,4-dien-1-amine
CID 89473979
(1S)-3-fluoro-4-piperazin-1-ylcyclohexa-2,4-dien-1-amine
CID 89473983
1-(3,5-Difluorocyclohexa-1,3-dien-1-yl)piperazine
CID 91293090
1-(6-Fluorocyclohepta-1,6-dien-1-yl)piperazine
CID 123623423
4-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]-5-fluorocyclohexa-2,4-dien-1-amine
CID 123637709
4-(4-Ethylpiperazin-1-yl)-4-fluorocyclohexa-1,5-dien-1-amine
CID 140764211

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-ylpiperazine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-ylpiperazine (CID 66776245) is 1-cyclohexa-1,5-dien-1-ylpiperazine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-ylpiperazine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-ylpiperazine is C1=CC(N2CCNCC2)=CCC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-ylpiperazine?
The InChIKey is IIPJCMIZEYVZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h2,4-5,11H,1,3,6-9H2.
What are the key properties of 1-cyclohexa-1,5-dien-1-ylpiperazine?
1-cyclohexa-1,5-dien-1-ylpiperazine has a molecular weight of 164.25 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-ylpiperazine is sourced from PubChem (CID 66776245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).