tert-butyl (3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(phenylmethoxymethyl)piperidine-1-carboxylate

C24H41NO5Si — CID 25105115

IUPACtert-butyl (3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(phenylmethoxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](COCc2ccccc2)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C24H41NO5Si/c1-23(2,3)29-22(27)25-14-19(17-28-16-18-12-10-9-11-13-18)21(26)20(15-25)30-31(7,8)24(4,5)6/h9-13,19-21,26H,14-17H2,1-8H3/t19-,20-,21-/m1/s1
InChIKeyZTYWRNBPCZHVQC-NJDAHSKKSA-N
MW451.68 g/mol
LogP4.82
Rot. Bonds6

About tert-butyl (3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(phenylmethoxymethyl)piperidine-1-carboxylate

tert-butyl (3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(phenylmethoxymethyl)piperidine-1-carboxylate (PubChem CID 25105115) has the molecular formula C24H41NO5Si and a molecular weight of 451.68 g/mol. Its IUPAC name is tert-butyl (3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(phenylmethoxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(phenylmethoxymethyl)piperidine-1-carboxylate
PubChem CID25105115
Molecular FormulaC24H41NO5Si
Molecular Weight451.68 g/mol
Exact Mass451.28
IUPAC Nametert-butyl (3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(phenylmethoxymethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](COCc2ccccc2)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C24H41NO5Si/c1-23(2,3)29-22(27)25-14-19(17-28-16-18-12-10-9-11-13-18)21(26)20(15-25)30-31(7,8)24(4,5)6/h9-13,19-21,26H,14-17H2,1-8H3/t19-,20-,21-/m1/s1
InChIKeyZTYWRNBPCZHVQC-NJDAHSKKSA-N
XLogP4.82
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.68
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl 4-[(1R,2S)-1-fluoro-2,3-dihydroxypropyl]piperidine-1-carboxylate
CID 101966358
benzyl (2S,3S)-2,3-dihydroxypiperidine-1-carboxylate
CID 10658378
Benzyl 3-hydroxy-2-methoxypiperidine-1-carboxylate
CID 10754158
Benzyl 2,3-dihydroxypiperidine-1-carboxylate
CID 11299711
Benzyl 4-hydroxy-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 69146214
BenZyl 4-[(t-butyldimethylsilyl)oxy]piperidine-1-carboxylate
CID 101381363
benzyl rel-(3R,4S,5S)-3-fluoro-4,5-dihydroxy-piperidine-1-carboxylate
CID 10468284
(R)-tert-butyl 3-((R)-(3-fluorophenyl)(2-hydroxyethoxy)methyl)piperidine-1-carboxylate
CID 58011549
4-[4-[(2,2-Difluoro-3-propan-2-yloxypropoxy)methyl]phenyl]-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylic acid
CID 66717678
tert-butyl 3-[(R)-(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate
CID 67364387
Tert-butyl 3-[(3-fluorophenyl)-(2-hydroxyethoxy)methyl]piperidine-1-carboxylate
CID 67364394
Tert-butyl 4-[(benzyloxy)methyl]-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 71268614

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(phenylmethoxymethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(phenylmethoxymethyl)piperidine-1-carboxylate (CID 25105115) is tert-butyl (3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(phenylmethoxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(phenylmethoxymethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(phenylmethoxymethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](COCc2ccccc2)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(phenylmethoxymethyl)piperidine-1-carboxylate?
The InChIKey is ZTYWRNBPCZHVQC-NJDAHSKKSA-N. The full InChI is InChI=1S/C24H41NO5Si/c1-23(2,3)29-22(27)25-14-19(17-28-16-18-12-10-9-11-13-18)21(26)20(15-25)30-31(7,8)24(4,5)6/h9-13,19-21,26H,14-17H2,1-8H3/t19-,20-,21-/m1/s1.
What are the key properties of tert-butyl (3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(phenylmethoxymethyl)piperidine-1-carboxylate?
tert-butyl (3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(phenylmethoxymethyl)piperidine-1-carboxylate has a molecular weight of 451.68 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(phenylmethoxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 25105115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).