4-piperazin-1-ylcyclohexa-1,5-dien-1-ol

C10H16N2O — CID 89307926

IUPAC4-piperazin-1-ylcyclohexa-1,5-dien-1-ol
SMILESOC1=CCC(N2CCNCC2)C=C1
InChIInChI=1S/C10H16N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1,3-4,9,11,13H,2,5-8H2
InChIKeyWTBOFBXIYGRCEE-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.66
Rot. Bonds1

About 4-piperazin-1-ylcyclohexa-1,5-dien-1-ol

4-piperazin-1-ylcyclohexa-1,5-dien-1-ol (PubChem CID 89307926) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-piperazin-1-ylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-piperazin-1-ylcyclohexa-1,5-dien-1-ol
PubChem CID89307926
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-piperazin-1-ylcyclohexa-1,5-dien-1-ol
SMILESOC1=CCC(N2CCNCC2)C=C1
InChIInChI=1S/C10H16N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1,3-4,9,11,13H,2,5-8H2
InChIKeyWTBOFBXIYGRCEE-UHFFFAOYSA-N
XLogP0.66
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-piperazin-1-ylcyclohexa-1,5-dien-1-ol (CID 89307926) is 4-piperazin-1-ylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-piperazin-1-ylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-piperazin-1-ylcyclohexa-1,5-dien-1-ol is OC1=CCC(N2CCNCC2)C=C1.
What is the InChIKey of 4-piperazin-1-ylcyclohexa-1,5-dien-1-ol?
The InChIKey is WTBOFBXIYGRCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1,3-4,9,11,13H,2,5-8H2.
What are the key properties of 4-piperazin-1-ylcyclohexa-1,5-dien-1-ol?
4-piperazin-1-ylcyclohexa-1,5-dien-1-ol has a molecular weight of 180.25 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 89307926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).