1-[(2R)-2-piperazin-1-ylcyclohexyl]ethanone

C12H22N2O — CID 59992004

IUPAC1-[(2R)-2-piperazin-1-ylcyclohexyl]ethanone
SMILESCC(=O)C1CCCC[C@H]1N1CCNCC1
InChIInChI=1S/C12H22N2O/c1-10(15)11-4-2-3-5-12(11)14-8-6-13-7-9-14/h11-13H,2-9H2,1H3/t11?,12-/m1/s1
InChIKeyVYJWMIBSHDSMJR-PIJUOVFKSA-N
MW210.32 g/mol
LogP1.04
Rot. Bonds2

About 1-[(2R)-2-piperazin-1-ylcyclohexyl]ethanone

1-[(2R)-2-piperazin-1-ylcyclohexyl]ethanone (PubChem CID 59992004) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[(2R)-2-piperazin-1-ylcyclohexyl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-piperazin-1-ylcyclohexyl]ethanone
PubChem CID59992004
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[(2R)-2-piperazin-1-ylcyclohexyl]ethanone
SMILESCC(=O)C1CCCC[C@H]1N1CCNCC1
InChIInChI=1S/C12H22N2O/c1-10(15)11-4-2-3-5-12(11)14-8-6-13-7-9-14/h11-13H,2-9H2,1H3/t11?,12-/m1/s1
InChIKeyVYJWMIBSHDSMJR-PIJUOVFKSA-N
XLogP1.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-tert-butyl (1S,2S)-2-piperazin-1-ylcyclohexane-1-carboxylate
CID 59992106
1-[(1R,2S)-2-methylcyclohexyl]piperazine
CID 796159
trans-(1S,2S)-2-piperazin-1-ylcyclopentan-1-ol
CID 51890003
trans-(1R,2R)-2-(1,4-diazepan-1-yl)cyclohexan-1-ol
CID 93346121
pyrrolidin-1-yl-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]methanone
CID 125474044
trans-(1R,2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-piperazin-1-ylcyclohexane-1-carboxamide;trans-(1S,2S)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-piperazin-1-ylcyclohexane-1-carboxamide
CID 159017930
1-[(1R,2R)-2-fluorocyclohexyl]piperazine
CID 126848005
(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
CID 7758382
methyl 2-pyrrolidin-1-ylcyclohexane-1-carboxylate
CID 14350171
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
1-cyclohexylpiperazine;3-oxobutanoic acid
CID 70416246
2-piperazin-1-ylcyclobutan-1-ol
CID 165486406

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-piperazin-1-ylcyclohexyl]ethanone?
The IUPAC name of 1-[(2R)-2-piperazin-1-ylcyclohexyl]ethanone (CID 59992004) is 1-[(2R)-2-piperazin-1-ylcyclohexyl]ethanone.
What is the SMILES notation for 1-[(2R)-2-piperazin-1-ylcyclohexyl]ethanone?
The canonical SMILES for 1-[(2R)-2-piperazin-1-ylcyclohexyl]ethanone is CC(=O)C1CCCC[C@H]1N1CCNCC1.
What is the InChIKey of 1-[(2R)-2-piperazin-1-ylcyclohexyl]ethanone?
The InChIKey is VYJWMIBSHDSMJR-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(15)11-4-2-3-5-12(11)14-8-6-13-7-9-14/h11-13H,2-9H2,1H3/t11?,12-/m1/s1.
What are the key properties of 1-[(2R)-2-piperazin-1-ylcyclohexyl]ethanone?
1-[(2R)-2-piperazin-1-ylcyclohexyl]ethanone has a molecular weight of 210.32 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-piperazin-1-ylcyclohexyl]ethanone is sourced from PubChem (CID 59992004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).