(3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-1-methylpiperidin-3-ol

C24H35NO2Si — CID 11773882

IUPAC(3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-1-methylpiperidin-3-ol
SMILESCC[C@@]1(O)C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN(C)C1
InChIInChI=1S/C24H35NO2Si/c1-6-24(26)17-20(18-25(5)19-24)27-28(23(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,26H,6,17-19H2,1-5H3/t20-,24-/m1/s1
InChIKeyHBTBVQBUCLQJMZ-HYBUGGRVSA-N
MW397.63 g/mol
LogP3.41
Rot. Bonds5

About (3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-1-methylpiperidin-3-ol

(3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-1-methylpiperidin-3-ol (PubChem CID 11773882) has the molecular formula C24H35NO2Si and a molecular weight of 397.63 g/mol. Its IUPAC name is (3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-1-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-1-methylpiperidin-3-ol
PubChem CID11773882
Molecular FormulaC24H35NO2Si
Molecular Weight397.63 g/mol
Exact Mass397.24
IUPAC Name(3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-1-methylpiperidin-3-ol
SMILESCC[C@@]1(O)C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN(C)C1
InChIInChI=1S/C24H35NO2Si/c1-6-24(26)17-20(18-25(5)19-24)27-28(23(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,26H,6,17-19H2,1-5H3/t20-,24-/m1/s1
InChIKeyHBTBVQBUCLQJMZ-HYBUGGRVSA-N
XLogP3.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.63
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-1-methylpiperidin-3-ol?
The IUPAC name of (3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-1-methylpiperidin-3-ol (CID 11773882) is (3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-1-methylpiperidin-3-ol.
What is the SMILES notation for (3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-1-methylpiperidin-3-ol?
The canonical SMILES for (3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-1-methylpiperidin-3-ol is CC[C@@]1(O)C[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CN(C)C1.
What is the InChIKey of (3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-1-methylpiperidin-3-ol?
The InChIKey is HBTBVQBUCLQJMZ-HYBUGGRVSA-N. The full InChI is InChI=1S/C24H35NO2Si/c1-6-24(26)17-20(18-25(5)19-24)27-28(23(2,3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,26H,6,17-19H2,1-5H3/t20-,24-/m1/s1.
What are the key properties of (3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-1-methylpiperidin-3-ol?
(3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-1-methylpiperidin-3-ol has a molecular weight of 397.63 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-1-methylpiperidin-3-ol is sourced from PubChem (CID 11773882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).