methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate

C32H49NO4Si — CID 134865127

IUPACmethyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate
SMILESCCC[C@@H]1C[C@@H](CC)[C@H](CCCO)N(C(=O)OC)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H49NO4Si/c1-7-16-26-23-25(8-2)29(21-15-22-34)33(31(35)36-6)30(26)24-37-38(32(3,4)5,27-17-11-9-12-18-27)28-19-13-10-14-20-28/h9-14,17-20,25-26,29-30,34H,7-8,15-16,21-24H2,1-6H3/t25-,26-,29+,30-/m1/s1
InChIKeyMIVLHEZECXJCJS-SXBXJLEOSA-N
MW539.83 g/mol
LogP5.99
Rot. Bonds11

About methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate

methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate (PubChem CID 134865127) has the molecular formula C32H49NO4Si and a molecular weight of 539.83 g/mol. Its IUPAC name is methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate
PubChem CID134865127
Molecular FormulaC32H49NO4Si
Molecular Weight539.83 g/mol
Exact Mass539.34
IUPAC Namemethyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate
SMILESCCC[C@@H]1C[C@@H](CC)[C@H](CCCO)N(C(=O)OC)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H49NO4Si/c1-7-16-26-23-25(8-2)29(21-15-22-34)33(31(35)36-6)30(26)24-37-38(32(3,4)5,27-17-11-9-12-18-27)28-19-13-10-14-20-28/h9-14,17-20,25-26,29-30,34H,7-8,15-16,21-24H2,1-6H3/t25-,26-,29+,30-/m1/s1
InChIKeyMIVLHEZECXJCJS-SXBXJLEOSA-N
XLogP5.99
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.83
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R,4S)-2-(hydroxymethyl)-4-phenylpiperidine-1-carboxylate
CID 11064797
methyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate
CID 11585040
dimethyl (2R,3S,5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-5-propylpiperidine-1,2-dicarboxylate
CID 11591931
tert-butyl (2R,4R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methylpiperidine-1-carboxylate
CID 146167060
tert-butyl (2R,4S,6R)-2-[4-[tert-butyl(diphenyl)silyl]oxybutyl]-4-methyl-6-prop-2-enylpiperidine-1-carboxylate
CID 146167061
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate
CID 11431341
1,1-dimethylethyl (1R,4S,6R)-4-({[(1,1-dimethylethyl)(diphenyl)silyl]oxy}methyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 59363658
tert-butyl (1R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 59363739
(1R,4S,6R)-1-tert-butyl-4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylic acid
CID 66742013
(1S,4S,6S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylic acid
CID 67538361
(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidine-1-carboxylic acid
CID 67956644
1,1-dimethylethyl (2S,5S)-2-({[(1,1-dimethylethyl)(diphenyl)silyl]oxy}methyl)-5-methyl-1-piperidinecarboxylate
CID 67965005

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate?
The IUPAC name of methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate (CID 134865127) is methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate?
The canonical SMILES for methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate is CCC[C@@H]1C[C@@H](CC)[C@H](CCCO)N(C(=O)OC)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate?
The InChIKey is MIVLHEZECXJCJS-SXBXJLEOSA-N. The full InChI is InChI=1S/C32H49NO4Si/c1-7-16-26-23-25(8-2)29(21-15-22-34)33(31(35)36-6)30(26)24-37-38(32(3,4)5,27-17-11-9-12-18-27)28-19-13-10-14-20-28/h9-14,17-20,25-26,29-30,34H,7-8,15-16,21-24H2,1-6H3/t25-,26-,29+,30-/m1/s1.
What are the key properties of methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate?
methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate has a molecular weight of 539.83 g/mol, XLogP of 5.99, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R,5R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethyl-6-(3-hydroxypropyl)-3-propylpiperidine-1-carboxylate is sourced from PubChem (CID 134865127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).