benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylpiperidine-1-carboxylate

C25H35NO3Si — CID 11247323

IUPACbenzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylpiperidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)OCc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C25H35NO3Si/c1-25(2,3)30(4,5)29-22-17-12-18-26(23(22)21-15-10-7-11-16-21)24(27)28-19-20-13-8-6-9-14-20/h6-11,13-16,22-23H,12,17-19H2,1-5H3/t22-,23-/m1/s1
InChIKeyMFQPLCVBIYBMQC-DHIUTWEWSA-N
MW425.65 g/mol
LogP6.55
Rot. Bonds5

About benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylpiperidine-1-carboxylate

benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylpiperidine-1-carboxylate (PubChem CID 11247323) has the molecular formula C25H35NO3Si and a molecular weight of 425.65 g/mol. Its IUPAC name is benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylpiperidine-1-carboxylate
PubChem CID11247323
Molecular FormulaC25H35NO3Si
Molecular Weight425.65 g/mol
Exact Mass425.24
IUPAC Namebenzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylpiperidine-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)OCc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C25H35NO3Si/c1-25(2,3)30(4,5)29-22-17-12-18-26(23(22)21-15-10-7-11-16-21)24(27)28-19-20-13-8-6-9-14-20/h6-11,13-16,22-23H,12,17-19H2,1-5H3/t22-,23-/m1/s1
InChIKeyMFQPLCVBIYBMQC-DHIUTWEWSA-N
XLogP6.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.65
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
CID 981230
Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981233
(2R,3S)-(-)-N-Z-6-oxo-2,3-diphenylmorpholine
CID 981238
Benzyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 3902786
tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 4533742
1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981225
tert-butyl (2R,3S)-6-hydroxy-2,3-diphenylmorpholine-4-carboxylate
CID 389882
Benzyl 2-benzyl-3-hydroxypiperidine-1-carboxylate
CID 44413821
(2S)-1-(tert-Butoxycarbonyl)-2beta-phenyl-3beta-[3,5-bis(trifluoromethyl)benzyloxy]piperidine
CID 16038143
(5S)-3,4,5,6-Tetrahydro-5-phenyl-N-(benzyloxycarbonyl)-4(H)-1,4-oxazin-2-one
CID 10064027
tert-butyl (2S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine-1-carboxylate
CID 135013934
tert-butyl N-benzyl-N-[(2R,3R)-3-methyl-2-phenyloxetan-3-yl]carbamate
CID 21608979

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylpiperidine-1-carboxylate?
The IUPAC name of benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylpiperidine-1-carboxylate (CID 11247323) is benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylpiperidine-1-carboxylate?
The canonical SMILES for benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylpiperidine-1-carboxylate is CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)OCc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylpiperidine-1-carboxylate?
The InChIKey is MFQPLCVBIYBMQC-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H35NO3Si/c1-25(2,3)30(4,5)29-22-17-12-18-26(23(22)21-15-10-7-11-16-21)24(27)28-19-20-13-8-6-9-14-20/h6-11,13-16,22-23H,12,17-19H2,1-5H3/t22-,23-/m1/s1.
What are the key properties of benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylpiperidine-1-carboxylate?
benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylpiperidine-1-carboxylate has a molecular weight of 425.65 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 11247323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).