1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one

C11H19NO2 — CID 86594081

IUPAC1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one
SMILESO=C1CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C11H19NO2/c13-9-5-7-12(8-6-9)10-3-1-2-4-11(10)14/h10-11,14H,1-8H2/t10-,11-/m1/s1
InChIKeyLBDNHRHMPHDTNU-GHMZBOCLSA-N
MW197.28 g/mol
LogP0.95
Rot. Bonds1

About 1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one

1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one (PubChem CID 86594081) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one
PubChem CID86594081
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one
SMILESO=C1CCN([C@@H]2CCCC[C@H]2O)CC1
InChIInChI=1S/C11H19NO2/c13-9-5-7-12(8-6-9)10-3-1-2-4-11(10)14/h10-11,14H,1-8H2/t10-,11-/m1/s1
InChIKeyLBDNHRHMPHDTNU-GHMZBOCLSA-N
XLogP0.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one?
The IUPAC name of 1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one (CID 86594081) is 1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one?
The canonical SMILES for 1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one is O=C1CCN([C@@H]2CCCC[C@H]2O)CC1.
What is the InChIKey of 1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one?
The InChIKey is LBDNHRHMPHDTNU-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H19NO2/c13-9-5-7-12(8-6-9)10-3-1-2-4-11(10)14/h10-11,14H,1-8H2/t10-,11-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one?
1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one has a molecular weight of 197.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-one is sourced from PubChem (CID 86594081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).