1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ol

C18H31NO2Si — CID 23529639

IUPAC1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ol
SMILESCC(C)(C)[Si](C)(C)OC1CC(O)CN(Cc2ccccc2)C1
InChIInChI=1S/C18H31NO2Si/c1-18(2,3)22(4,5)21-17-11-16(20)13-19(14-17)12-15-9-7-6-8-10-15/h6-10,16-17,20H,11-14H2,1-5H3
InChIKeyLPKCLOBPWVYSOV-UHFFFAOYSA-N
MW321.54 g/mol
LogP3.64
Rot. Bonds4

About 1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ol

1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ol (PubChem CID 23529639) has the molecular formula C18H31NO2Si and a molecular weight of 321.54 g/mol. Its IUPAC name is 1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ol
PubChem CID23529639
Molecular FormulaC18H31NO2Si
Molecular Weight321.54 g/mol
Exact Mass321.21
IUPAC Name1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ol
SMILESCC(C)(C)[Si](C)(C)OC1CC(O)CN(Cc2ccccc2)C1
InChIInChI=1S/C18H31NO2Si/c1-18(2,3)22(4,5)21-17-11-16(20)13-19(14-17)12-15-9-7-6-8-10-15/h6-10,16-17,20H,11-14H2,1-5H3
InChIKeyLPKCLOBPWVYSOV-UHFFFAOYSA-N
XLogP3.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.54
LogP ≤ 53.64
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 1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ol?
The IUPAC name of 1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ol (CID 23529639) is 1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ol.
What is the SMILES notation for 1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ol?
The canonical SMILES for 1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ol is CC(C)(C)[Si](C)(C)OC1CC(O)CN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ol?
The InChIKey is LPKCLOBPWVYSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2Si/c1-18(2,3)22(4,5)21-17-11-16(20)13-19(14-17)12-15-9-7-6-8-10-15/h6-10,16-17,20H,11-14H2,1-5H3.
What are the key properties of 1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ol?
1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-ol has a molecular weight of 321.54 g/mol, XLogP of 3.64, 4 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(dimethyl)silyl]oxypiperidin-3-ol is sourced from PubChem (CID 23529639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).