[6-(4-ethylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol

C13H22N2O — CID 173070968

IUPAC[6-(4-ethylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol
SMILESCCN1CCN(C2=CCCC=C2CO)CC1
InChIInChI=1S/C13H22N2O/c1-2-14-7-9-15(10-8-14)13-6-4-3-5-12(13)11-16/h5-6,16H,2-4,7-11H2,1H3
InChIKeyNYCIUQSCLOYELD-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.22
Rot. Bonds3

About [6-(4-ethylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol

[6-(4-ethylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol (PubChem CID 173070968) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [6-(4-ethylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol.

Molecular Properties

Compound Name[6-(4-ethylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol
PubChem CID173070968
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[6-(4-ethylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol
SMILESCCN1CCN(C2=CCCC=C2CO)CC1
InChIInChI=1S/C13H22N2O/c1-2-14-7-9-15(10-8-14)13-6-4-3-5-12(13)11-16/h5-6,16H,2-4,7-11H2,1H3
InChIKeyNYCIUQSCLOYELD-UHFFFAOYSA-N
XLogP1.22
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-(4-ethylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol?
The IUPAC name of [6-(4-ethylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol (CID 173070968) is [6-(4-ethylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol.
What is the SMILES notation for [6-(4-ethylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol?
The canonical SMILES for [6-(4-ethylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol is CCN1CCN(C2=CCCC=C2CO)CC1.
What is the InChIKey of [6-(4-ethylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol?
The InChIKey is NYCIUQSCLOYELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-14-7-9-15(10-8-14)13-6-4-3-5-12(13)11-16/h5-6,16H,2-4,7-11H2,1H3.
What are the key properties of [6-(4-ethylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol?
[6-(4-ethylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol has a molecular weight of 222.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethylpiperazin-1-yl)cyclohexa-1,5-dien-1-yl]methanol is sourced from PubChem (CID 173070968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).