(6-piperazin-1-ylcyclohexa-1,5-dien-1-yl)methanol

C11H18N2O — CID 173070962

IUPAC(6-piperazin-1-ylcyclohexa-1,5-dien-1-yl)methanol
SMILESOCC1=CCCC=C1N1CCNCC1
InChIInChI=1S/C11H18N2O/c14-9-10-3-1-2-4-11(10)13-7-5-12-6-8-13/h3-4,12,14H,1-2,5-9H2
InChIKeyIIDXXOFYVNZEBP-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.49
Rot. Bonds2

About (6-piperazin-1-ylcyclohexa-1,5-dien-1-yl)methanol

(6-piperazin-1-ylcyclohexa-1,5-dien-1-yl)methanol (PubChem CID 173070962) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (6-piperazin-1-ylcyclohexa-1,5-dien-1-yl)methanol.

Molecular Properties

Compound Name(6-piperazin-1-ylcyclohexa-1,5-dien-1-yl)methanol
PubChem CID173070962
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(6-piperazin-1-ylcyclohexa-1,5-dien-1-yl)methanol
SMILESOCC1=CCCC=C1N1CCNCC1
InChIInChI=1S/C11H18N2O/c14-9-10-3-1-2-4-11(10)13-7-5-12-6-8-13/h3-4,12,14H,1-2,5-9H2
InChIKeyIIDXXOFYVNZEBP-UHFFFAOYSA-N
XLogP0.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze (6-piperazin-1-ylcyclohexa-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-piperazin-1-ylcyclohexa-1,5-dien-1-yl)methanol?
The IUPAC name of (6-piperazin-1-ylcyclohexa-1,5-dien-1-yl)methanol (CID 173070962) is (6-piperazin-1-ylcyclohexa-1,5-dien-1-yl)methanol.
What is the SMILES notation for (6-piperazin-1-ylcyclohexa-1,5-dien-1-yl)methanol?
The canonical SMILES for (6-piperazin-1-ylcyclohexa-1,5-dien-1-yl)methanol is OCC1=CCCC=C1N1CCNCC1.
What is the InChIKey of (6-piperazin-1-ylcyclohexa-1,5-dien-1-yl)methanol?
The InChIKey is IIDXXOFYVNZEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-9-10-3-1-2-4-11(10)13-7-5-12-6-8-13/h3-4,12,14H,1-2,5-9H2.
What are the key properties of (6-piperazin-1-ylcyclohexa-1,5-dien-1-yl)methanol?
(6-piperazin-1-ylcyclohexa-1,5-dien-1-yl)methanol has a molecular weight of 194.28 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-piperazin-1-ylcyclohexa-1,5-dien-1-yl)methanol is sourced from PubChem (CID 173070962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).