dimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate

C25H33NO5Si — CID 24787516

IUPACdimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC
InChIInChI=1S/C25H33NO5Si/c1-25(2,3)32(20-12-8-6-9-13-20,21-14-10-7-11-15-21)31-19-16-17-26(24(28)30-5)22(18-19)23(27)29-4/h6-15,19,22H,16-18H2,1-5H3/t19-,22+/m1/s1
InChIKeyWUQNEDIDGALUFW-KNQAVFIVSA-N
MW455.63 g/mol
LogP3.34
Rot. Bonds5

About dimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate

dimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate (PubChem CID 24787516) has the molecular formula C25H33NO5Si and a molecular weight of 455.63 g/mol. Its IUPAC name is dimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate
PubChem CID24787516
Molecular FormulaC25H33NO5Si
Molecular Weight455.63 g/mol
Exact Mass455.21
IUPAC Namedimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC
InChIInChI=1S/C25H33NO5Si/c1-25(2,3)32(20-12-8-6-9-13-20,21-14-10-7-11-15-21)31-19-16-17-26(24(28)30-5)22(18-19)23(27)29-4/h6-15,19,22H,16-18H2,1-5H3/t19-,22+/m1/s1
InChIKeyWUQNEDIDGALUFW-KNQAVFIVSA-N
XLogP3.34
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.63
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-cyanopiperidine-1-carboxylate
CID 101209477
(4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-methoxycarbonylpyrrolidine-2-carboxylic acid
CID 175889399
cis-methyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 58715061
methyl 3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 21062599
1-O-tert-butyl 2-O-methyl (2S)-3-[tert-butyl(diphenyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 143106522
1-O-tert-butyl 2-O-methyl (1R,2S,4S)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-dicarboxylate
CID 162424135
methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylate
CID 70975932
(2R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 169225341
tert-butyl 4-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpiperidine-1-carboxylate
CID 166543577
1-O-methyl 2-O-(2-methylpropyl) 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-dicarboxylate
CID 67213573
benzyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(methoxymethylcarbamoyl)pyrrolidine-1-carboxylate
CID 142683565
1-O-tert-butyl 2-O-methyl (2R,4S)-4-(dibenzylamino)piperidine-1,2-dicarboxylate
CID 118473892

Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate?
The IUPAC name of dimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate (CID 24787516) is dimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate?
The canonical SMILES for dimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate is COC(=O)[C@@H]1C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC.
What is the InChIKey of dimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate?
The InChIKey is WUQNEDIDGALUFW-KNQAVFIVSA-N. The full InChI is InChI=1S/C25H33NO5Si/c1-25(2,3)32(20-12-8-6-9-13-20,21-14-10-7-11-15-21)31-19-16-17-26(24(28)30-5)22(18-19)23(27)29-4/h6-15,19,22H,16-18H2,1-5H3/t19-,22+/m1/s1.
What are the key properties of dimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate?
dimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate has a molecular weight of 455.63 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidine-1,2-dicarboxylate is sourced from PubChem (CID 24787516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).