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

C17H23NO2 — CID 155933555

IUPAC(4R)-1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-2-one
SMILESO=C1C[C@H](c2ccccc2)CCN1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C17H23NO2/c19-16-9-5-4-8-15(16)18-11-10-14(12-17(18)20)13-6-2-1-3-7-13/h1-3,6-7,14-16,19H,4-5,8-12H2/t14-,15-,16-/m1/s1
InChIKeyHJOJPKOHKOCFKJ-BZUAXINKSA-N
MW273.38 g/mol
LogP2.70
Rot. Bonds2

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

(4R)-1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-2-one (PubChem CID 155933555) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (4R)-1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-2-one
PubChem CID155933555
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(4R)-1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-2-one
SMILESO=C1C[C@H](c2ccccc2)CCN1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C17H23NO2/c19-16-9-5-4-8-15(16)18-11-10-14(12-17(18)20)13-6-2-1-3-7-13/h1-3,6-7,14-16,19H,4-5,8-12H2/t14-,15-,16-/m1/s1
InChIKeyHJOJPKOHKOCFKJ-BZUAXINKSA-N
XLogP2.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-2-one?
The IUPAC name of (4R)-1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-2-one (CID 155933555) is (4R)-1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-2-one.
What is the SMILES notation for (4R)-1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-2-one?
The canonical SMILES for (4R)-1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-2-one is O=C1C[C@H](c2ccccc2)CCN1[C@@H]1CCCC[C@H]1O.
What is the InChIKey of (4R)-1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-2-one?
The InChIKey is HJOJPKOHKOCFKJ-BZUAXINKSA-N. The full InChI is InChI=1S/C17H23NO2/c19-16-9-5-4-8-15(16)18-11-10-14(12-17(18)20)13-6-2-1-3-7-13/h1-3,6-7,14-16,19H,4-5,8-12H2/t14-,15-,16-/m1/s1.
What are the key properties of (4R)-1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-2-one?
(4R)-1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylpiperidin-2-one is sourced from PubChem (CID 155933555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).