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

C11H18N2O — CID 140974107

IUPAC1-methyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-ol
SMILESCC1(O)C=CC(N2CCNCC2)=CC1
InChIInChI=1S/C11H18N2O/c1-11(14)4-2-10(3-5-11)13-8-6-12-7-9-13/h2-4,12,14H,5-9H2,1H3
InChIKeyRCBJYIDMXAOSQW-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.49
Rot. Bonds1

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

1-methyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-ol (PubChem CID 140974107) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-methyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-methyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-ol
PubChem CID140974107
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-methyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-ol
SMILESCC1(O)C=CC(N2CCNCC2)=CC1
InChIInChI=1S/C11H18N2O/c1-11(14)4-2-10(3-5-11)13-8-6-12-7-9-13/h2-4,12,14H,5-9H2,1H3
InChIKeyRCBJYIDMXAOSQW-UHFFFAOYSA-N
XLogP0.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-methyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-ol (CID 140974107) is 1-methyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-methyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-methyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-ol is CC1(O)C=CC(N2CCNCC2)=CC1.
What is the InChIKey of 1-methyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-ol?
The InChIKey is RCBJYIDMXAOSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(14)4-2-10(3-5-11)13-8-6-12-7-9-13/h2-4,12,14H,5-9H2,1H3.
What are the key properties of 1-methyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-ol?
1-methyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-ol has a molecular weight of 194.28 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-piperazin-1-ylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 140974107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).