2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one

C13H24N2O2 — CID 82511384

IUPAC2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one
SMILESCC(OC1CCCCC1)C(=O)N1CCNCC1
InChIInChI=1S/C13H24N2O2/c1-11(17-12-5-3-2-4-6-12)13(16)15-9-7-14-8-10-15/h11-12,14H,2-10H2,1H3
InChIKeyGGDYFOWXAQTNHP-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds3

About 2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one

2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one (PubChem CID 82511384) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one
PubChem CID82511384
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one
SMILESCC(OC1CCCCC1)C(=O)N1CCNCC1
InChIInChI=1S/C13H24N2O2/c1-11(17-12-5-3-2-4-6-12)13(16)15-9-7-14-8-10-15/h11-12,14H,2-10H2,1H3
InChIKeyGGDYFOWXAQTNHP-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-piperidin-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 66246383
2-cycloheptyloxy-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119472718
(3R)-1-[(2R)-2-cycloheptyloxypropanoyl]pyrrolidine-3-carboxylic acid
CID 124689424
2-cycloheptyloxy-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 120824140
2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43423493
4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one
CID 97321014
2-cycloheptyloxy-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119541479
2-(3-aminocyclopentyl)oxy-1-(azepan-1-yl)propan-1-one
CID 79465466
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cycloheptyloxypropan-1-one;hydrochloride
CID 120809038
3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119401435
2-(2-aminocyclohexyl)oxy-1-pyrrolidin-1-ylpropan-1-one
CID 113395322
1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one
CID 24702682

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one (CID 82511384) is 2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one is CC(OC1CCCCC1)C(=O)N1CCNCC1.
What is the InChIKey of 2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one?
The InChIKey is GGDYFOWXAQTNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(17-12-5-3-2-4-6-12)13(16)15-9-7-14-8-10-15/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one?
2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82511384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).