4-(4-hydroxycyclohexyl)-3,3-dimethylpiperazin-2-one

C12H22N2O2 — CID 114762583

IUPAC4-(4-hydroxycyclohexyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C1CCC(O)CC1
InChIInChI=1S/C12H22N2O2/c1-12(2)11(16)13-7-8-14(12)9-3-5-10(15)6-4-9/h9-10,15H,3-8H2,1-2H3,(H,13,16)
InChIKeyVIZAWWNCQNEFLN-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.50
Rot. Bonds1

About 4-(4-hydroxycyclohexyl)-3,3-dimethylpiperazin-2-one

4-(4-hydroxycyclohexyl)-3,3-dimethylpiperazin-2-one (PubChem CID 114762583) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(4-hydroxycyclohexyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-hydroxycyclohexyl)-3,3-dimethylpiperazin-2-one
PubChem CID114762583
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-(4-hydroxycyclohexyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C1CCC(O)CC1
InChIInChI=1S/C12H22N2O2/c1-12(2)11(16)13-7-8-14(12)9-3-5-10(15)6-4-9/h9-10,15H,3-8H2,1-2H3,(H,13,16)
InChIKeyVIZAWWNCQNEFLN-UHFFFAOYSA-N
XLogP0.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-hydroxycyclohexyl)-3,3-dimethylpiperazin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one
CID 63606845
4-(cyclooctanecarbonyl)-3,3-dimethylpiperazin-2-one
CID 65022862
3,3-dimethyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 63361975
4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one
CID 63607405
4-[2-(2,5-dimethylpyrrolidin-1-yl)propanoyl]-3,3-dimethylpiperazin-2-one
CID 63606211
4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one
CID 63597012
4-cyclopentylsulfonyl-3,3-dimethylpiperazin-2-one
CID 115634074
4-tert-butyl-3,3-dimethylpiperazin-2-one
CID 117024123
N'-cyclopentyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide
CID 55216131
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile
CID 63596308
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
2-(2,2-dimethyl-3-oxopiperazin-1-yl)propanoic acid
CID 3157129

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxycyclohexyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(4-hydroxycyclohexyl)-3,3-dimethylpiperazin-2-one (CID 114762583) is 4-(4-hydroxycyclohexyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(4-hydroxycyclohexyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(4-hydroxycyclohexyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C1CCC(O)CC1.
What is the InChIKey of 4-(4-hydroxycyclohexyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is VIZAWWNCQNEFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2)11(16)13-7-8-14(12)9-3-5-10(15)6-4-9/h9-10,15H,3-8H2,1-2H3,(H,13,16).
What are the key properties of 4-(4-hydroxycyclohexyl)-3,3-dimethylpiperazin-2-one?
4-(4-hydroxycyclohexyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxycyclohexyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 114762583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).