benzyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylate

C20H33NO4Si — CID 58386789

IUPACbenzyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylate
SMILESCO[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H33NO4Si/c1-20(2,3)26(5,6)25-18-12-17(23-4)13-21(14-18)19(22)24-15-16-10-8-7-9-11-16/h7-11,17-18H,12-15H2,1-6H3/t17-,18-/m1/s1
InChIKeyRXPVOYHRJRLQKQ-QZTJIDSGSA-N
MW379.57 g/mol
LogP4.43
Rot. Bonds5

About benzyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylate

benzyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylate (PubChem CID 58386789) has the molecular formula C20H33NO4Si and a molecular weight of 379.57 g/mol. Its IUPAC name is benzyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylate
PubChem CID58386789
Molecular FormulaC20H33NO4Si
Molecular Weight379.57 g/mol
Exact Mass379.22
IUPAC Namebenzyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylate
SMILESCO[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H33NO4Si/c1-20(2,3)26(5,6)25-18-12-17(23-4)13-21(14-18)19(22)24-15-16-10-8-7-9-11-16/h7-11,17-18H,12-15H2,1-6H3/t17-,18-/m1/s1
InChIKeyRXPVOYHRJRLQKQ-QZTJIDSGSA-N
XLogP4.43
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 benzyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylate?
The IUPAC name of benzyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylate (CID 58386789) is benzyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylate?
The canonical SMILES for benzyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylate is CO[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylate?
The InChIKey is RXPVOYHRJRLQKQ-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H33NO4Si/c1-20(2,3)26(5,6)25-18-12-17(23-4)13-21(14-18)19(22)24-15-16-10-8-7-9-11-16/h7-11,17-18H,12-15H2,1-6H3/t17-,18-/m1/s1.
What are the key properties of benzyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylate?
benzyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylate has a molecular weight of 379.57 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 58386789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).