(5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one

C23H31NO2Si — CID 59094993

IUPAC(5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one
SMILESC[C@@H]1CCC(=O)N[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H31NO2Si/c1-18-15-16-22(25)24-21(18)17-26-27(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21H,15-17H2,1-4H3,(H,24,25)/t18-,21+/m1/s1
InChIKeyWDFIQAOBJMZWFL-NQIIRXRSSA-N
MW381.59 g/mol
LogP3.48
Rot. Bonds5

About (5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one

(5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one (PubChem CID 59094993) has the molecular formula C23H31NO2Si and a molecular weight of 381.59 g/mol. Its IUPAC name is (5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one
PubChem CID59094993
Molecular FormulaC23H31NO2Si
Molecular Weight381.59 g/mol
Exact Mass381.21
IUPAC Name(5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one
SMILESC[C@@H]1CCC(=O)N[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H31NO2Si/c1-18-15-16-22(25)24-21(18)17-26-27(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21H,15-17H2,1-4H3,(H,24,25)/t18-,21+/m1/s1
InChIKeyWDFIQAOBJMZWFL-NQIIRXRSSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.59
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
CID 11682145
(5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one
CID 11589615
(6R)-5,5-dimethyl-6-(triphenylsilylmethyl)piperidin-2-one
CID 15361662
(6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one
CID 134866999
N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide
CID 138970075
(5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
CID 138981408
(6R)-6-({[tert-Butyl(diphenyl)silyl]oxy}methyl)piperidin-2-one
CID 15391599
6-[[Tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
CID 15391600
(3R,4S)-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-ethylazetidin-2-one
CID 22844469
(3S,5R,6R)-3,6-dibenzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
CID 59032177
3-({[tert-Butyl(diphenyl)silyl]oxy}methyl)piperidin-2-one
CID 59410781
N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
CID 59515954

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one?
The IUPAC name of (5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one (CID 59094993) is (5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one.
What is the SMILES notation for (5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one?
The canonical SMILES for (5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one is C[C@@H]1CCC(=O)N[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one?
The InChIKey is WDFIQAOBJMZWFL-NQIIRXRSSA-N. The full InChI is InChI=1S/C23H31NO2Si/c1-18-15-16-22(25)24-21(18)17-26-27(23(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21H,15-17H2,1-4H3,(H,24,25)/t18-,21+/m1/s1.
What are the key properties of (5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one?
(5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one has a molecular weight of 381.59 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-2-one is sourced from PubChem (CID 59094993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).