1-cyclohexylpiperazin-2-one;hydrate

C10H20N2O2 — CID 86812142

IUPAC1-cyclohexylpiperazin-2-one;hydrate
SMILESO.O=C1CNCCN1C1CCCCC1
InChIInChI=1S/C10H18N2O.H2O/c13-10-8-11-6-7-12(10)9-4-2-1-3-5-9;/h9,11H,1-8H2;1H2
InChIKeyGXJSXCKYRQOKHG-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.07
Rot. Bonds1

About 1-cyclohexylpiperazin-2-one;hydrate

1-cyclohexylpiperazin-2-one;hydrate (PubChem CID 86812142) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-cyclohexylpiperazin-2-one;hydrate.

Molecular Properties

Compound Name1-cyclohexylpiperazin-2-one;hydrate
PubChem CID86812142
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-cyclohexylpiperazin-2-one;hydrate
SMILESO.O=C1CNCCN1C1CCCCC1
InChIInChI=1S/C10H18N2O.H2O/c13-10-8-11-6-7-12(10)9-4-2-1-3-5-9;/h9,11H,1-8H2;1H2
InChIKeyGXJSXCKYRQOKHG-UHFFFAOYSA-N
XLogP-0.07
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexylpiperazin-2-one;hydrate 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 1-cyclohexylpiperazin-2-one;hydrate?
The IUPAC name of 1-cyclohexylpiperazin-2-one;hydrate (CID 86812142) is 1-cyclohexylpiperazin-2-one;hydrate.
What is the SMILES notation for 1-cyclohexylpiperazin-2-one;hydrate?
The canonical SMILES for 1-cyclohexylpiperazin-2-one;hydrate is O.O=C1CNCCN1C1CCCCC1.
What is the InChIKey of 1-cyclohexylpiperazin-2-one;hydrate?
The InChIKey is GXJSXCKYRQOKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.H2O/c13-10-8-11-6-7-12(10)9-4-2-1-3-5-9;/h9,11H,1-8H2;1H2.
What are the key properties of 1-cyclohexylpiperazin-2-one;hydrate?
1-cyclohexylpiperazin-2-one;hydrate has a molecular weight of 200.28 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpiperazin-2-one;hydrate is sourced from PubChem (CID 86812142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).