1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine

C11H18N2 — CID 129210125

IUPAC1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine
SMILESCC1C=CC(N2CCNCC2)=CC1
InChIInChI=1S/C11H18N2/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13/h2,4-5,10,12H,3,6-9H2,1H3
InChIKeyXZBQFNXQFRSIEK-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.37
Rot. Bonds1

About 1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine

1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine (PubChem CID 129210125) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine
PubChem CID129210125
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine
SMILESCC1C=CC(N2CCNCC2)=CC1
InChIInChI=1S/C11H18N2/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13/h2,4-5,10,12H,3,6-9H2,1H3
InChIKeyXZBQFNXQFRSIEK-UHFFFAOYSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine?
The IUPAC name of 1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine (CID 129210125) is 1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine.
What is the SMILES notation for 1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine?
The canonical SMILES for 1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine is CC1C=CC(N2CCNCC2)=CC1.
What is the InChIKey of 1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine?
The InChIKey is XZBQFNXQFRSIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13/h2,4-5,10,12H,3,6-9H2,1H3.
What are the key properties of 1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine?
1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine has a molecular weight of 178.28 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexa-1,5-dien-1-yl)piperazine is sourced from PubChem (CID 129210125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).