1-[4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2-methylmorpholin-2-yl]propan-2-ol

C23H41NO4Si — CID 144753194

IUPAC1-[4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2-methylmorpholin-2-yl]propan-2-ol
SMILESCOC1N(Cc2ccccc2)C(CO[Si](C)(C)C(C)(C)C)COC1(C)CC(C)O
InChIInChI=1S/C23H41NO4Si/c1-18(25)14-23(5)21(26-6)24(15-19-12-10-9-11-13-19)20(16-27-23)17-28-29(7,8)22(2,3)4/h9-13,18,20-21,25H,14-17H2,1-8H3
InChIKeyGBNIUTUSVADYGE-UHFFFAOYSA-N
MW423.67 g/mol
LogP4.41
Rot. Bonds8

About 1-[4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2-methylmorpholin-2-yl]propan-2-ol

1-[4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2-methylmorpholin-2-yl]propan-2-ol (PubChem CID 144753194) has the molecular formula C23H41NO4Si and a molecular weight of 423.67 g/mol. Its IUPAC name is 1-[4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2-methylmorpholin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2-methylmorpholin-2-yl]propan-2-ol
PubChem CID144753194
Molecular FormulaC23H41NO4Si
Molecular Weight423.67 g/mol
Exact Mass423.28
IUPAC Name1-[4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2-methylmorpholin-2-yl]propan-2-ol
SMILESCOC1N(Cc2ccccc2)C(CO[Si](C)(C)C(C)(C)C)COC1(C)CC(C)O
InChIInChI=1S/C23H41NO4Si/c1-18(25)14-23(5)21(26-6)24(15-19-12-10-9-11-13-19)20(16-27-23)17-28-29(7,8)22(2,3)4/h9-13,18,20-21,25H,14-17H2,1-8H3
InChIKeyGBNIUTUSVADYGE-UHFFFAOYSA-N
XLogP4.41
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.67
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5S)-2-Hydroxymethyl-1-(3-trimethylsilanyl-benzyl)-piperidine-3,4,5-triol
CID 9883791
(2R,3R,4R,5S)-2-Hydroxymethyl-1-(4-trimethylsilanyl-benzyl)-piperidine-3,4,5-triol
CID 15389575
(2R,3R,4R,5S)-2-Hydroxymethyl-1-(2-trimethylsilanyl-benzyl)-piperidine-3,4,5-triol
CID 15389574
4-[[benzyl-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]amino]methyl]oxan-4-ol
CID 100703545
1-[4-Benzyl-5-(fluoromethyl)-2-methylmorpholin-2-yl]propan-2-ol
CID 117822267
2-[4-Benzyl-5-(fluoromethyl)-2-methylmorpholin-2-yl)ethanol
CID 117822351
2-{4-Benzyl-5-[(difluoromethoxy)methyl]-2-methylmorpholin-2-yl}ethanol
CID 121282826
1-Benzyl-5-((tert-butyldimethylsilyl)oxy)piperidin-3-ol
CID 23529639
(2S,3S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methoxyhexa-4,5-dien-3-ol
CID 10434085
(3R,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol
CID 11112758
(3S,4S)-6-[tert-butyl(dimethyl)silyl]oxy-4-(dibenzylamino)hexan-3-ol
CID 11122809
(S)-5-((Tert-butyldimethylsilyl)oxy)-2-(dibenzylamino)pentan-1-OL
CID 15420140

Frequently Asked Questions

What is the IUPAC name of 1-[4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2-methylmorpholin-2-yl]propan-2-ol?
The IUPAC name of 1-[4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2-methylmorpholin-2-yl]propan-2-ol (CID 144753194) is 1-[4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2-methylmorpholin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2-methylmorpholin-2-yl]propan-2-ol?
The canonical SMILES for 1-[4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2-methylmorpholin-2-yl]propan-2-ol is COC1N(Cc2ccccc2)C(CO[Si](C)(C)C(C)(C)C)COC1(C)CC(C)O.
What is the InChIKey of 1-[4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2-methylmorpholin-2-yl]propan-2-ol?
The InChIKey is GBNIUTUSVADYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO4Si/c1-18(25)14-23(5)21(26-6)24(15-19-12-10-9-11-13-19)20(16-27-23)17-28-29(7,8)22(2,3)4/h9-13,18,20-21,25H,14-17H2,1-8H3.
What are the key properties of 1-[4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2-methylmorpholin-2-yl]propan-2-ol?
1-[4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2-methylmorpholin-2-yl]propan-2-ol has a molecular weight of 423.67 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methoxy-2-methylmorpholin-2-yl]propan-2-ol is sourced from PubChem (CID 144753194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).