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

C11H18N2O — CID 89053941

IUPAC4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-ol
SMILESCN1CCN(C2C=CC(O)=CC2)CC1
InChIInChI=1S/C11H18N2O/c1-12-6-8-13(9-7-12)10-2-4-11(14)5-3-10/h2,4-5,10,14H,3,6-9H2,1H3
InChIKeyJOLGDRSNUXMSFV-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.00
Rot. Bonds1

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

4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-ol (PubChem CID 89053941) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-ol
PubChem CID89053941
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-ol
SMILESCN1CCN(C2C=CC(O)=CC2)CC1
InChIInChI=1S/C11H18N2O/c1-12-6-8-13(9-7-12)10-2-4-11(14)5-3-10/h2,4-5,10,14H,3,6-9H2,1H3
InChIKeyJOLGDRSNUXMSFV-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-ol (CID 89053941) is 4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-ol is CN1CCN(C2C=CC(O)=CC2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-ol?
The InChIKey is JOLGDRSNUXMSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-12-6-8-13(9-7-12)10-2-4-11(14)5-3-10/h2,4-5,10,14H,3,6-9H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-ol?
4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 89053941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).