(6R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-6-methylpiperidin-2-one

C20H33NO2Si — CID 15923317

IUPAC(6R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-6-methylpiperidin-2-one
SMILESC[C@@H]1CCCC(=O)N1[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H33NO2Si/c1-16-11-10-14-19(22)21(16)18(17-12-8-7-9-13-17)15-23-24(5,6)20(2,3)4/h7-9,12-13,16,18H,10-11,14-15H2,1-6H3/t16-,18+/m1/s1
InChIKeyDOHFFMZLTBFQHW-AEFFLSMTSA-N
MW347.57 g/mol
LogP5.15
Rot. Bonds5

About (6R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-6-methylpiperidin-2-one

(6R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-6-methylpiperidin-2-one (PubChem CID 15923317) has the molecular formula C20H33NO2Si and a molecular weight of 347.57 g/mol. Its IUPAC name is (6R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-6-methylpiperidin-2-one.

Molecular Properties

Compound Name(6R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-6-methylpiperidin-2-one
PubChem CID15923317
Molecular FormulaC20H33NO2Si
Molecular Weight347.57 g/mol
Exact Mass347.23
IUPAC Name(6R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-6-methylpiperidin-2-one
SMILESC[C@@H]1CCCC(=O)N1[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H33NO2Si/c1-16-11-10-14-19(22)21(16)18(17-12-8-7-9-13-17)15-23-24(5,6)20(2,3)4/h7-9,12-13,16,18H,10-11,14-15H2,1-6H3/t16-,18+/m1/s1
InChIKeyDOHFFMZLTBFQHW-AEFFLSMTSA-N
XLogP5.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.57
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]piperidine-2,3-dione
CID 15438068
1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one
CID 11485967
1-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-2-methyl-2,7-dihydrofuro[3,4-b]pyridin-5-one
CID 11451965
(6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one
CID 11402324
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
trans-(2R,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylcyclohexan-1-one
CID 101232144
(2S,3S,8aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-8a-ethyl-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 11014618
1-[2-[tert-butyl(dimethyl)silyl]oxy-1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[2-[tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one;1-[1-[3-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-[4-(pentafluoro-λ6-sulfanyl)phenyl]ethyl]piperidin-2-one;1-[1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one
CID 159038781
(6R)-6-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]piperidin-2-one
CID 134866999
2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]propan-2-yloxy]isoindole-1,3-dione
CID 140883343
tert-butyl-(2-dimethoxyphosphoryl-2-phenylethoxy)-dimethylsilane
CID 15108856
2-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethoxy]ethanol
CID 59001710

Frequently Asked Questions

What is the IUPAC name of (6R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-6-methylpiperidin-2-one?
The IUPAC name of (6R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-6-methylpiperidin-2-one (CID 15923317) is (6R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-6-methylpiperidin-2-one.
What is the SMILES notation for (6R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-6-methylpiperidin-2-one?
The canonical SMILES for (6R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-6-methylpiperidin-2-one is C[C@@H]1CCCC(=O)N1[C@@H](CO[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of (6R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-6-methylpiperidin-2-one?
The InChIKey is DOHFFMZLTBFQHW-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H33NO2Si/c1-16-11-10-14-19(22)21(16)18(17-12-8-7-9-13-17)15-23-24(5,6)20(2,3)4/h7-9,12-13,16,18H,10-11,14-15H2,1-6H3/t16-,18+/m1/s1.
What are the key properties of (6R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-6-methylpiperidin-2-one?
(6R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-6-methylpiperidin-2-one has a molecular weight of 347.57 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-6-methylpiperidin-2-one is sourced from PubChem (CID 15923317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).