(5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one

C17H25NO2 — CID 102254920

IUPAC(5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
SMILESCC[C@@H]1CCC(=O)N([C@@H](CO)c2ccccc2)[C@H]1CC
InChIInChI=1S/C17H25NO2/c1-3-13-10-11-17(20)18(15(13)4-2)16(12-19)14-8-6-5-7-9-14/h5-9,13,15-16,19H,3-4,10-12H2,1-2H3/t13-,15+,16+/m1/s1
InChIKeyKSTASKZLEQWMRX-KBMXLJTQSA-N
MW275.39 g/mol
LogP3.15
Rot. Bonds5

About (5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one

(5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one (PubChem CID 102254920) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
PubChem CID102254920
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
SMILESCC[C@@H]1CCC(=O)N([C@@H](CO)c2ccccc2)[C@H]1CC
InChIInChI=1S/C17H25NO2/c1-3-13-10-11-17(20)18(15(13)4-2)16(12-19)14-8-6-5-7-9-14/h5-9,13,15-16,19H,3-4,10-12H2,1-2H3/t13-,15+,16+/m1/s1
InChIKeyKSTASKZLEQWMRX-KBMXLJTQSA-N
XLogP3.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one with MolForge

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Related Compounds

(4-Methyl-piperidin-1-YL)-phenyl-acetic acid hydrochloride
CID 16192951
alpha-(Acetylmethylamino)-benzeneacetic acid
CID 3861124
1-Butyl-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 4309781
4-[(1S)-2-hydroxy-1-phenylethyl]-1-(2-methylpropyl)-1,4-diazepan-5-one
CID 24761275
trans-(1S,2S)-N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenylcyclohexane-1-carboxamide
CID 145991916
N-((2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl)-N-methylcyclohexanecarboxamide
CID 51360903
2,2-Dimethyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728326
2-(4-Methylpiperidin-1-yl)-2-phenylacetic acid
CID 3157175
N-[(1R)-2-hydroxy-1-phenylethyl]octanamide
CID 44382914
N-(2-hydroxy-1-phenylethyl)-N,2,2-trimethylbutanamide
CID 121446752
(3S,5R,6R)-1,3,6-Tribenzyl-5-hydroxy-piperidin-2-one
CID 468424
Morpholine, 2,5-dimethyl-3-phenyl-4-(2-propylvaleryl)-
CID 3064263

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one?
The IUPAC name of (5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one (CID 102254920) is (5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one.
What is the SMILES notation for (5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one?
The canonical SMILES for (5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one is CC[C@@H]1CCC(=O)N([C@@H](CO)c2ccccc2)[C@H]1CC.
What is the InChIKey of (5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one?
The InChIKey is KSTASKZLEQWMRX-KBMXLJTQSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-13-10-11-17(20)18(15(13)4-2)16(12-19)14-8-6-5-7-9-14/h5-9,13,15-16,19H,3-4,10-12H2,1-2H3/t13-,15+,16+/m1/s1.
What are the key properties of (5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one?
(5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one has a molecular weight of 275.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one is sourced from PubChem (CID 102254920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).