tert-butyl (2R,3S)-3-[(2R)-3-hydroxy-2-phenylpropyl]-2-phenyl-3-trimethylsilyloxypiperidine-1-carboxylate

C28H41NO4Si — CID 11059954

IUPACtert-butyl (2R,3S)-3-[(2R)-3-hydroxy-2-phenylpropyl]-2-phenyl-3-trimethylsilyloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@](C[C@@H](CO)c2ccccc2)(O[Si](C)(C)C)[C@H]1c1ccccc1
InChIInChI=1S/C28H41NO4Si/c1-27(2,3)32-26(31)29-19-13-18-28(33-34(4,5)6,25(29)23-16-11-8-12-17-23)20-24(21-30)22-14-9-7-10-15-22/h7-12,14-17,24-25,30H,13,18-21H2,1-6H3/t24-,25+,28-/m0/s1
InChIKeyFUFKYERKGFCARM-OARDWFSCSA-N
MW483.73 g/mol
LogP6.52
Rot. Bonds7

About tert-butyl (2R,3S)-3-[(2R)-3-hydroxy-2-phenylpropyl]-2-phenyl-3-trimethylsilyloxypiperidine-1-carboxylate

tert-butyl (2R,3S)-3-[(2R)-3-hydroxy-2-phenylpropyl]-2-phenyl-3-trimethylsilyloxypiperidine-1-carboxylate (PubChem CID 11059954) has the molecular formula C28H41NO4Si and a molecular weight of 483.73 g/mol. Its IUPAC name is tert-butyl (2R,3S)-3-[(2R)-3-hydroxy-2-phenylpropyl]-2-phenyl-3-trimethylsilyloxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-3-[(2R)-3-hydroxy-2-phenylpropyl]-2-phenyl-3-trimethylsilyloxypiperidine-1-carboxylate
PubChem CID11059954
Molecular FormulaC28H41NO4Si
Molecular Weight483.73 g/mol
Exact Mass483.28
IUPAC Nametert-butyl (2R,3S)-3-[(2R)-3-hydroxy-2-phenylpropyl]-2-phenyl-3-trimethylsilyloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@](C[C@@H](CO)c2ccccc2)(O[Si](C)(C)C)[C@H]1c1ccccc1
InChIInChI=1S/C28H41NO4Si/c1-27(2,3)32-26(31)29-19-13-18-28(33-34(4,5)6,25(29)23-16-11-8-12-17-23)20-24(21-30)22-14-9-7-10-15-22/h7-12,14-17,24-25,30H,13,18-21H2,1-6H3/t24-,25+,28-/m0/s1
InChIKeyFUFKYERKGFCARM-OARDWFSCSA-N
XLogP6.52
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.73
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (2R,3S)-3-[(2R)-3-hydroxy-2-phenylpropyl]-2-phenyl-3-trimethylsilyloxypiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (5R,13S)-13-phenyl-1-oxa-12-azaspiro[4.8]tridec-3-ene-12-carboxylate
CID 70290744
tert-butyl 3-hydroxy-3-[(Z)-3-hydroxy-2-(2-methoxyphenyl)prop-1-enyl]-2-phenylpiperidine-1-carboxylate
CID 70290292
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl 2-(4-cyanophenyl)-3-methoxy-3-trimethylsilyloxypiperidine-1-carboxylate
CID 11418283
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid
CID 58913468
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-2-carboxylic acid
CID 45073940
tert-butyl (2S,3R)-3-hydroxy-2-phenylpiperidine-1-carboxylate;tert-butyl (2R,3S)-3-hydroxy-2-phenylpiperidine-1-carboxylate
CID 167995330
tert-butyl (2S)-2-[(S)-amino(phenyl)methyl]pyrrolidine-1-carboxylate
CID 95479256
tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11197513
tert-butyl 2-[(1S)-1-amino-2-phenylethyl]-1,3-oxazinane-3-carboxylate
CID 58067181
(2S)-2-amino-2-phenylethanol;bis(3-(1,1-difluoroprop-2-enyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid)
CID 158404438
tert-butyl 2-phenoxy-1,3-oxazolidine-3-carboxylate
CID 90383959

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S)-3-[(2R)-3-hydroxy-2-phenylpropyl]-2-phenyl-3-trimethylsilyloxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S)-3-[(2R)-3-hydroxy-2-phenylpropyl]-2-phenyl-3-trimethylsilyloxypiperidine-1-carboxylate (CID 11059954) is tert-butyl (2R,3S)-3-[(2R)-3-hydroxy-2-phenylpropyl]-2-phenyl-3-trimethylsilyloxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S)-3-[(2R)-3-hydroxy-2-phenylpropyl]-2-phenyl-3-trimethylsilyloxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S)-3-[(2R)-3-hydroxy-2-phenylpropyl]-2-phenyl-3-trimethylsilyloxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@](C[C@@H](CO)c2ccccc2)(O[Si](C)(C)C)[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl (2R,3S)-3-[(2R)-3-hydroxy-2-phenylpropyl]-2-phenyl-3-trimethylsilyloxypiperidine-1-carboxylate?
The InChIKey is FUFKYERKGFCARM-OARDWFSCSA-N. The full InChI is InChI=1S/C28H41NO4Si/c1-27(2,3)32-26(31)29-19-13-18-28(33-34(4,5)6,25(29)23-16-11-8-12-17-23)20-24(21-30)22-14-9-7-10-15-22/h7-12,14-17,24-25,30H,13,18-21H2,1-6H3/t24-,25+,28-/m0/s1.
What are the key properties of tert-butyl (2R,3S)-3-[(2R)-3-hydroxy-2-phenylpropyl]-2-phenyl-3-trimethylsilyloxypiperidine-1-carboxylate?
tert-butyl (2R,3S)-3-[(2R)-3-hydroxy-2-phenylpropyl]-2-phenyl-3-trimethylsilyloxypiperidine-1-carboxylate has a molecular weight of 483.73 g/mol, XLogP of 6.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-3-[(2R)-3-hydroxy-2-phenylpropyl]-2-phenyl-3-trimethylsilyloxypiperidine-1-carboxylate is sourced from PubChem (CID 11059954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).