tert-butyl (3R,4R)-4-(3-fluoro-4-methylphenyl)-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate

C27H46FNO4Si — CID 123244551

IUPACtert-butyl (3R,4R)-4-(3-fluoro-4-methylphenyl)-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate
SMILESCc1ccc([C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2CO[Si](C(C)C)(C(C)C)C(C)C)cc1F
InChIInChI=1S/C27H46FNO4Si/c1-18(2)34(19(3)4,20(5)6)32-17-23-16-29(25(30)33-26(8,9)10)14-13-27(23,31)22-12-11-21(7)24(28)15-22/h11-12,15,18-20,23,31H,13-14,16-17H2,1-10H3/t23-,27+/m1/s1
InChIKeyXSNIFVHSIYHEHH-KCWPFWIISA-N
MW495.75 g/mol
LogP6.77
Rot. Bonds7

About tert-butyl (3R,4R)-4-(3-fluoro-4-methylphenyl)-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate

tert-butyl (3R,4R)-4-(3-fluoro-4-methylphenyl)-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate (PubChem CID 123244551) has the molecular formula C27H46FNO4Si and a molecular weight of 495.75 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-(3-fluoro-4-methylphenyl)-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4R)-4-(3-fluoro-4-methylphenyl)-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate
PubChem CID123244551
Molecular FormulaC27H46FNO4Si
Molecular Weight495.75 g/mol
Exact Mass495.32
IUPAC Nametert-butyl (3R,4R)-4-(3-fluoro-4-methylphenyl)-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate
SMILESCc1ccc([C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2CO[Si](C(C)C)(C(C)C)C(C)C)cc1F
InChIInChI=1S/C27H46FNO4Si/c1-18(2)34(19(3)4,20(5)6)32-17-23-16-29(25(30)33-26(8,9)10)14-13-27(23,31)22-12-11-21(7)24(28)15-22/h11-12,15,18-20,23,31H,13-14,16-17H2,1-10H3/t23-,27+/m1/s1
InChIKeyXSNIFVHSIYHEHH-KCWPFWIISA-N
XLogP6.77
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.75
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (3R,4R)-4-(3-fluoro-4-methylphenyl)-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-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 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate
CID 66757895
tert-butyl 3-(3-fluoro-4-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carboxylate
CID 166608345
tert-butyl (3R,4R)-3-[5-(2,6-dichlorophenyl)-4-(1-hydroxyethyl)-1,2-oxazol-3-yl]-4-(3,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylate
CID 66724057
tert-butyl (3R,4R)-3-[5-[2-(2-acetamidoethyl)phenyl]-4-(1-hydroxyethyl)-1,2-oxazol-3-yl]-4-(3,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylate
CID 140575405
tert-butyl (3R,3'R)-5,6-difluoro-3'-(hydroxymethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate
CID 149433806
tert-butyl 3,4-dihydroxy-4-phenylpiperidine-1-carboxylate
CID 20870871
tert-butyl (3S,4R)-3-(4-bromo-3-naphthalen-1-yl-1,2-oxazol-5-yl)-4-(3,4-difluorophenyl)-4-hydroxypiperidine-1-carboxylate
CID 66724031
tert-butyl 4-[(3-fluoro-4-methylphenyl)sulfonyl-methylamino]piperidine-1-carboxylate
CID 60539981
tert-butyl (3R)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]pyrrolidine-1-carboxylate
CID 66560214
tert-butyl (1R,6S)-6-(4-chlorophenyl)-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124561978
tert-butyl 4-[2-(3-fluoro-4-methylphenyl)-2-hydroxyethyl]piperidine-1-carboxylate
CID 178149670
tert-butyl 4-[4-[(2,2-difluoro-3-propan-2-yloxypropoxy)methyl]phenyl]-3-formyl-4-hydroxypiperidine-1-carboxylate
CID 87122028

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-(3-fluoro-4-methylphenyl)-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4R)-4-(3-fluoro-4-methylphenyl)-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate (CID 123244551) is tert-butyl (3R,4R)-4-(3-fluoro-4-methylphenyl)-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4R)-4-(3-fluoro-4-methylphenyl)-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4R)-4-(3-fluoro-4-methylphenyl)-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate is Cc1ccc([C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2CO[Si](C(C)C)(C(C)C)C(C)C)cc1F.
What is the InChIKey of tert-butyl (3R,4R)-4-(3-fluoro-4-methylphenyl)-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate?
The InChIKey is XSNIFVHSIYHEHH-KCWPFWIISA-N. The full InChI is InChI=1S/C27H46FNO4Si/c1-18(2)34(19(3)4,20(5)6)32-17-23-16-29(25(30)33-26(8,9)10)14-13-27(23,31)22-12-11-21(7)24(28)15-22/h11-12,15,18-20,23,31H,13-14,16-17H2,1-10H3/t23-,27+/m1/s1.
What are the key properties of tert-butyl (3R,4R)-4-(3-fluoro-4-methylphenyl)-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate?
tert-butyl (3R,4R)-4-(3-fluoro-4-methylphenyl)-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate has a molecular weight of 495.75 g/mol, XLogP of 6.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4R)-4-(3-fluoro-4-methylphenyl)-4-hydroxy-3-[tri(propan-2-yl)silyloxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 123244551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).