1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-ol

C11H18N2O — CID 173123524

IUPAC1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-ol
SMILESCN1CCN(C2(O)C=CCC=C2)CC1
InChIInChI=1S/C11H18N2O/c1-12-7-9-13(10-8-12)11(14)5-3-2-4-6-11/h3-6,14H,2,7-10H2,1H3
InChIKeyCSGSIIHQHQLXDQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.44
Rot. Bonds1

About 1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-ol

1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-ol (PubChem CID 173123524) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-ol
PubChem CID173123524
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-ol
SMILESCN1CCN(C2(O)C=CCC=C2)CC1
InChIInChI=1S/C11H18N2O/c1-12-7-9-13(10-8-12)11(14)5-3-2-4-6-11/h3-6,14H,2,7-10H2,1H3
InChIKeyCSGSIIHQHQLXDQ-UHFFFAOYSA-N
XLogP0.44
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-ol?
The IUPAC name of 1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-ol (CID 173123524) is 1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-ol.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-ol?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-ol is CN1CCN(C2(O)C=CCC=C2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-ol?
The InChIKey is CSGSIIHQHQLXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-12-7-9-13(10-8-12)11(14)5-3-2-4-6-11/h3-6,14H,2,7-10H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-ol?
1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-ol has a molecular weight of 194.28 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)cyclohexa-2,5-dien-1-ol is sourced from PubChem (CID 173123524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).