1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol

C31H41NO2Si — CID 163246812

IUPAC1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol
SMILESCC1(C)C(O)CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1Cc1ccccc1
InChIInChI=1S/C31H41NO2Si/c1-30(2,3)35(27-17-11-7-12-18-27,28-19-13-8-14-20-28)34-24-26-21-29(33)31(4,5)32(23-26)22-25-15-9-6-10-16-25/h6-20,26,29,33H,21-24H2,1-5H3
InChIKeyRRLYCXRSUKCQFB-UHFFFAOYSA-N
MW487.76 g/mol
LogP5.22
Rot. Bonds7

About 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol

1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol (PubChem CID 163246812) has the molecular formula C31H41NO2Si and a molecular weight of 487.76 g/mol. Its IUPAC name is 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol
PubChem CID163246812
Molecular FormulaC31H41NO2Si
Molecular Weight487.76 g/mol
Exact Mass487.29
IUPAC Name1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol
SMILESCC1(C)C(O)CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1Cc1ccccc1
InChIInChI=1S/C31H41NO2Si/c1-30(2,3)35(27-17-11-7-12-18-27,28-19-13-8-14-20-28)34-24-26-21-29(33)31(4,5)32(23-26)22-25-15-9-6-10-16-25/h6-20,26,29,33H,21-24H2,1-5H3
InChIKeyRRLYCXRSUKCQFB-UHFFFAOYSA-N
XLogP5.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.76
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane
CID 68912098
2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine
CID 142426134
1-benzyl-3-tert-butyl-2,2-dimethylazetidine
CID 563397
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
1-benzyl-2,2-dimethylpyrrolidin-3-ol
CID 83848241
tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane
CID 159922386
(2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 141362787
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane
CID 156858499
(1S,2R,4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 101017191

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol?
The IUPAC name of 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol (CID 163246812) is 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol.
What is the SMILES notation for 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol?
The canonical SMILES for 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol is CC1(C)C(O)CC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol?
The InChIKey is RRLYCXRSUKCQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41NO2Si/c1-30(2,3)35(27-17-11-7-12-18-27,28-19-13-8-14-20-28)34-24-26-21-29(33)31(4,5)32(23-26)22-25-15-9-6-10-16-25/h6-20,26,29,33H,21-24H2,1-5H3.
What are the key properties of 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol?
1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol has a molecular weight of 487.76 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethylpiperidin-3-ol is sourced from PubChem (CID 163246812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).