[(2S)-1-benzylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane

C28H35NOSi — CID 46873547

IUPAC[(2S)-1-benzylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1CCCN1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35NOSi/c1-28(2,3)31(26-17-9-5-10-18-26,27-19-11-6-12-20-27)30-23-25-16-13-21-29(25)22-24-14-7-4-8-15-24/h4-12,14-15,17-20,25H,13,16,21-23H2,1-3H3/t25-/m0/s1
InChIKeyBYXQOSFVEWLLDS-VWLOTQADSA-N
MW429.68 g/mol
LogP5.23
Rot. Bonds7

About [(2S)-1-benzylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane

[(2S)-1-benzylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane (PubChem CID 46873547) has the molecular formula C28H35NOSi and a molecular weight of 429.68 g/mol. Its IUPAC name is [(2S)-1-benzylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(2S)-1-benzylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane
PubChem CID46873547
Molecular FormulaC28H35NOSi
Molecular Weight429.68 g/mol
Exact Mass429.25
IUPAC Name[(2S)-1-benzylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1CCCN1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35NOSi/c1-28(2,3)31(26-17-9-5-10-18-26,27-19-11-6-12-20-27)30-23-25-16-13-21-29(25)22-24-14-7-4-8-15-24/h4-12,14-15,17-20,25H,13,16,21-23H2,1-3H3/t25-/m0/s1
InChIKeyBYXQOSFVEWLLDS-VWLOTQADSA-N
XLogP5.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.68
LogP ≤ 55.23
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

[(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-diphenylsilane
CID 16680157
[(2S,4R)-1-benzyl-4-[tert-butyl(diphenyl)silyl]oxypyrrolidin-2-yl]methanol
CID 16680156
[1-Benzyl-4-(trifluoromethyl)pyrrolidin-3-yl]methoxy-tert-butyl-diphenylsilane
CID 68913822
[(2S)-1-benzylpyrrolidin-2-yl]methyl hypofluorite
CID 144508134
tert-butyl-[[(2S)-4-(4-fluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]methoxy]-diphenylsilane
CID 175438594
tert-butyl-[[(2R,5S,8S)-2-fluoro-5-(3,4,5-trifluorophenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane
CID 176727272
tert-butyl-[[(2R,5R,8S)-2-fluoro-5-(3,4,5-trifluorophenyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane
CID 176727464
[(2S,3S,4S)-1-benzyl-3-(iodomethyl)-4-prop-1-en-2-ylpyrrolidin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10648595
(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 11070292
(2S)-1-[[2-[(2E)-3,7-dimethylocta-2,6-dienyl]selanylphenyl]methyl]-2-(methoxymethyl)pyrrolidine
CID 11811857
tert-butyl-dimethyl-[[(2S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methoxy]silane
CID 12069185
(S)-5-((Tert-butyldimethylsilyl)oxy)-2-(dibenzylamino)pentan-1-OL
CID 15420140

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-benzylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(2S)-1-benzylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane (CID 46873547) is [(2S)-1-benzylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(2S)-1-benzylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(2S)-1-benzylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1CCCN1Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-1-benzylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is BYXQOSFVEWLLDS-VWLOTQADSA-N. The full InChI is InChI=1S/C28H35NOSi/c1-28(2,3)31(26-17-9-5-10-18-26,27-19-11-6-12-20-27)30-23-25-16-13-21-29(25)22-24-14-7-4-8-15-24/h4-12,14-15,17-20,25H,13,16,21-23H2,1-3H3/t25-/m0/s1.
What are the key properties of [(2S)-1-benzylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane?
[(2S)-1-benzylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 429.68 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-benzylpyrrolidin-2-yl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 46873547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).