cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone

C16H28N2O2 — CID 71783040

IUPACcyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C16H28N2O2/c19-15(13-6-7-13)12-17-8-10-18(11-9-17)16(20)14-4-2-1-3-5-14/h13-15,19H,1-12H2
InChIKeyWPPVANLZYKLFMI-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.48
Rot. Bonds4

About cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone

cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 71783040) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID71783040
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Namecyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(CC(O)C2CC2)CC1
InChIInChI=1S/C16H28N2O2/c19-15(13-6-7-13)12-17-8-10-18(11-9-17)16(20)14-4-2-1-3-5-14/h13-15,19H,1-12H2
InChIKeyWPPVANLZYKLFMI-UHFFFAOYSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone 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

cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82120186
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone
CID 82023468
1-(azepan-1-yl)-2-[4-[(2S)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 97038948
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone
CID 110908182
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120691002
cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074992
1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 71783035

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone (CID 71783040) is cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone is O=C(C1CCCCC1)N1CCN(CC(O)C2CC2)CC1.
What is the InChIKey of cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is WPPVANLZYKLFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c19-15(13-6-7-13)12-17-8-10-18(11-9-17)16(20)14-4-2-1-3-5-14/h13-15,19H,1-12H2.
What are the key properties of cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone?
cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 280.41 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71783040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).