1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one

C10H18N2O2 — CID 67085330

IUPAC1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one
SMILESO=C1CNCCN1[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C10H18N2O2/c13-9-3-1-2-8(6-9)12-5-4-11-7-10(12)14/h8-9,11,13H,1-7H2/t8-,9+/m1/s1
InChIKeyLBCGOLPLDFMORT-BDAKNGLRSA-N
MW198.27 g/mol
LogP-0.28
Rot. Bonds1

About 1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one

1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one (PubChem CID 67085330) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one
PubChem CID67085330
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one
SMILESO=C1CNCCN1[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C10H18N2O2/c13-9-3-1-2-8(6-9)12-5-4-11-7-10(12)14/h8-9,11,13H,1-7H2/t8-,9+/m1/s1
InChIKeyLBCGOLPLDFMORT-BDAKNGLRSA-N
XLogP-0.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexylpiperazin-2-one;hydrate
CID 86812142
1-(azetidin-3-yl)piperazin-2-one
CID 163241212
1-[(1R,5R)-3-bicyclo[3.1.0]hexanyl]piperazin-2-one;hydrochloride
CID 67085216
(8R,9aS)-8-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 172908007
1-piperidin-4-yl-1,4-diazepan-2-one
CID 89310976
1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride
CID 67112219
(8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one
CID 18638938
1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one
CID 22980195
1-[1-[(3-methylcyclohexyl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844533
1-(2-methylcyclohexyl)piperazin-2-one
CID 64566824
4-cyclopentyl-1,4-diazocan-5-one
CID 117015321
1-[(3R)-1-[(2S,3S)-2-methylpiperidine-3-carbonyl]piperidin-3-yl]piperazin-2-one
CID 129347358

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one?
The IUPAC name of 1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one (CID 67085330) is 1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one.
What is the SMILES notation for 1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one?
The canonical SMILES for 1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one is O=C1CNCCN1[C@@H]1CCC[C@H](O)C1.
What is the InChIKey of 1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one?
The InChIKey is LBCGOLPLDFMORT-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H18N2O2/c13-9-3-1-2-8(6-9)12-5-4-11-7-10(12)14/h8-9,11,13H,1-7H2/t8-,9+/m1/s1.
What are the key properties of 1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one?
1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one has a molecular weight of 198.27 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one is sourced from PubChem (CID 67085330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).