(5R,6S)-5-hydroxy-1,6-di(propan-2-yl)piperidin-2-one

C11H21NO2 — CID 59961754

IUPAC(5R,6S)-5-hydroxy-1,6-di(propan-2-yl)piperidin-2-one
SMILESCC(C)[C@H]1[C@H](O)CCC(=O)N1C(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)11-9(13)5-6-10(14)12(11)8(3)4/h7-9,11,13H,5-6H2,1-4H3/t9-,11+/m1/s1
InChIKeyBGDNOIHMSQEEPQ-KOLCDFICSA-N
MW199.29 g/mol
LogP1.40
Rot. Bonds2

About (5R,6S)-5-hydroxy-1,6-di(propan-2-yl)piperidin-2-one

(5R,6S)-5-hydroxy-1,6-di(propan-2-yl)piperidin-2-one (PubChem CID 59961754) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (5R,6S)-5-hydroxy-1,6-di(propan-2-yl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5-hydroxy-1,6-di(propan-2-yl)piperidin-2-one
PubChem CID59961754
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(5R,6S)-5-hydroxy-1,6-di(propan-2-yl)piperidin-2-one
SMILESCC(C)[C@H]1[C@H](O)CCC(=O)N1C(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)11-9(13)5-6-10(14)12(11)8(3)4/h7-9,11,13H,5-6H2,1-4H3/t9-,11+/m1/s1
InChIKeyBGDNOIHMSQEEPQ-KOLCDFICSA-N
XLogP1.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Ethylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 121516217
(5R,6S)-5-hydroxy-6-propan-2-ylpiperidin-2-one
CID 102384345
1-(3-Hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one
CID 21297912
1-(4-Hydroxypiperidin-1-yl)-2-methylheptan-1-one
CID 68252938
1,4-Diethyl-5-hydroxy-6,6-dimethylpiperidin-2-one
CID 123632787
1-[(3S)-2-hydroxypentan-3-yl]-3-methylpiperidin-2-one
CID 144292557
6-Tert-butyl-5-hydroxypiperidin-2-one
CID 155222917
(2S)-1-(4-hydroxypiperidin-1-yl)-2-methylheptan-1-one
CID 156121521
5-Hydroxy-3,3-dimethyl-6-(2-methylpropyl)piperidin-2-one
CID 163246180
5-Hydroxy-6-(2-methylpropyl)piperidin-2-one
CID 163246568
CID 163246569
CID 163246569
(5R)-5-hydroxy-6-(2-methylpropyl)piperidin-2-one
CID 175456224

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-hydroxy-1,6-di(propan-2-yl)piperidin-2-one?
The IUPAC name of (5R,6S)-5-hydroxy-1,6-di(propan-2-yl)piperidin-2-one (CID 59961754) is (5R,6S)-5-hydroxy-1,6-di(propan-2-yl)piperidin-2-one.
What is the SMILES notation for (5R,6S)-5-hydroxy-1,6-di(propan-2-yl)piperidin-2-one?
The canonical SMILES for (5R,6S)-5-hydroxy-1,6-di(propan-2-yl)piperidin-2-one is CC(C)[C@H]1[C@H](O)CCC(=O)N1C(C)C.
What is the InChIKey of (5R,6S)-5-hydroxy-1,6-di(propan-2-yl)piperidin-2-one?
The InChIKey is BGDNOIHMSQEEPQ-KOLCDFICSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(2)11-9(13)5-6-10(14)12(11)8(3)4/h7-9,11,13H,5-6H2,1-4H3/t9-,11+/m1/s1.
What are the key properties of (5R,6S)-5-hydroxy-1,6-di(propan-2-yl)piperidin-2-one?
(5R,6S)-5-hydroxy-1,6-di(propan-2-yl)piperidin-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-hydroxy-1,6-di(propan-2-yl)piperidin-2-one is sourced from PubChem (CID 59961754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).