[(2S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aziridin-2-yl]-diphenylmethanol

C23H33NO2Si — CID 101268191

IUPAC[(2S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aziridin-2-yl]-diphenylmethanol
SMILESCC(C)(C)[Si](C)(C)OCCN1C[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33NO2Si/c1-22(2,3)27(4,5)26-17-16-24-18-21(24)23(25,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21,25H,16-18H2,1-5H3/t21-,24?/m0/s1
InChIKeyMTIGDSGYMWZERC-XEGCMXMBSA-N
MW383.61 g/mol
LogP4.63
Rot. Bonds7

About [(2S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aziridin-2-yl]-diphenylmethanol

[(2S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aziridin-2-yl]-diphenylmethanol (PubChem CID 101268191) has the molecular formula C23H33NO2Si and a molecular weight of 383.61 g/mol. Its IUPAC name is [(2S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aziridin-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(2S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aziridin-2-yl]-diphenylmethanol
PubChem CID101268191
Molecular FormulaC23H33NO2Si
Molecular Weight383.61 g/mol
Exact Mass383.23
IUPAC Name[(2S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aziridin-2-yl]-diphenylmethanol
SMILESCC(C)(C)[Si](C)(C)OCCN1C[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33NO2Si/c1-22(2,3)27(4,5)26-17-16-24-18-21(24)23(25,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21,25H,16-18H2,1-5H3/t21-,24?/m0/s1
InChIKeyMTIGDSGYMWZERC-XEGCMXMBSA-N
XLogP4.63
TPSA32.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.61
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-phenylpiperidin-4-ol
CID 10335639
1-(1-Hydroxy-1-phenylpropan-2-yl)-4-phenylpiperidin-4-ol
CID 49824423
2-(Diethylamino)-1,1-diphenylethanol
CID 96431
Benzeneethanol, alpha-((diethylamino)methyl)-alpha-phenyl-
CID 3054342
Benzhydrol, alpha-(2-(bis(2-methoxyethyl)amino)-1-methylethyl)-, hydrochloride
CID 3063262
2-(2,6-Dimethylpiperidin-1-yl)-1,1-diphenylethanol
CID 14810514
2-[Bis(2-hydroxyethyl)amino]-1,1-diphenylethanol
CID 44266777
beta-Methyl-alpha,alpha-diphenyl-1-piperidineethanol
CID 94161
2-[(2-Hydroxyethyl)(methyl)amino]-1,1-diphenylethanol
CID 109004
(1-Methylpiperidin-2-yl)(diphenyl)methanol
CID 10379003
(R)-phenyl-[(2R)-1-[(1S)-1-phenylethyl]aziridin-2-yl]methanol
CID 10956080
(2S,3R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-1,1-diphenylbutan-1-ol
CID 11122256

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aziridin-2-yl]-diphenylmethanol?
The IUPAC name of [(2S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aziridin-2-yl]-diphenylmethanol (CID 101268191) is [(2S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aziridin-2-yl]-diphenylmethanol.
What is the SMILES notation for [(2S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aziridin-2-yl]-diphenylmethanol?
The canonical SMILES for [(2S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aziridin-2-yl]-diphenylmethanol is CC(C)(C)[Si](C)(C)OCCN1C[C@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aziridin-2-yl]-diphenylmethanol?
The InChIKey is MTIGDSGYMWZERC-XEGCMXMBSA-N. The full InChI is InChI=1S/C23H33NO2Si/c1-22(2,3)27(4,5)26-17-16-24-18-21(24)23(25,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,21,25H,16-18H2,1-5H3/t21-,24?/m0/s1.
What are the key properties of [(2S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aziridin-2-yl]-diphenylmethanol?
[(2S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aziridin-2-yl]-diphenylmethanol has a molecular weight of 383.61 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]aziridin-2-yl]-diphenylmethanol is sourced from PubChem (CID 101268191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).