1-piperazin-1-ylcyclohexa-2,4-dien-1-ol

C10H16N2O — CID 67922404

IUPAC1-piperazin-1-ylcyclohexa-2,4-dien-1-ol
SMILESOC1(N2CCNCC2)C=CC=CC1
InChIInChI=1S/C10H16N2O/c13-10(4-2-1-3-5-10)12-8-6-11-7-9-12/h1-4,11,13H,5-9H2
InChIKeyYRSMQBGODBFUNN-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.10
Rot. Bonds1

About 1-piperazin-1-ylcyclohexa-2,4-dien-1-ol

1-piperazin-1-ylcyclohexa-2,4-dien-1-ol (PubChem CID 67922404) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-piperazin-1-ylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-piperazin-1-ylcyclohexa-2,4-dien-1-ol
PubChem CID67922404
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-piperazin-1-ylcyclohexa-2,4-dien-1-ol
SMILESOC1(N2CCNCC2)C=CC=CC1
InChIInChI=1S/C10H16N2O/c13-10(4-2-1-3-5-10)12-8-6-11-7-9-12/h1-4,11,13H,5-9H2
InChIKeyYRSMQBGODBFUNN-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-piperazin-1-ylcyclohexa-2,4-dien-1-ol (CID 67922404) is 1-piperazin-1-ylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-piperazin-1-ylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-piperazin-1-ylcyclohexa-2,4-dien-1-ol is OC1(N2CCNCC2)C=CC=CC1.
What is the InChIKey of 1-piperazin-1-ylcyclohexa-2,4-dien-1-ol?
The InChIKey is YRSMQBGODBFUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c13-10(4-2-1-3-5-10)12-8-6-11-7-9-12/h1-4,11,13H,5-9H2.
What are the key properties of 1-piperazin-1-ylcyclohexa-2,4-dien-1-ol?
1-piperazin-1-ylcyclohexa-2,4-dien-1-ol has a molecular weight of 180.25 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67922404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).