tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-4-yl]oxy-dimethylsilane

C23H34F3NOSi — CID 135000053

IUPACtert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-4-yl]oxy-dimethylsilane
SMILESC=C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](/C=C/c2ccc(C(F)(F)F)cc2)N1C
InChIInChI=1S/C23H34F3NOSi/c1-8-19-15-21(28-29(6,7)22(2,3)4)16-20(27(19)5)14-11-17-9-12-18(13-10-17)23(24,25)26/h8-14,19-21H,1,15-16H2,2-7H3/b14-11+/t19-,20+,21+/m0/s1
InChIKeyZWQOOYWCBPNZCI-LLHFRWLPSA-N
MW425.61 g/mol
LogP6.76
Rot. Bonds5

About tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-4-yl]oxy-dimethylsilane

tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-4-yl]oxy-dimethylsilane (PubChem CID 135000053) has the molecular formula C23H34F3NOSi and a molecular weight of 425.61 g/mol. Its IUPAC name is tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-4-yl]oxy-dimethylsilane
PubChem CID135000053
Molecular FormulaC23H34F3NOSi
Molecular Weight425.61 g/mol
Exact Mass425.24
IUPAC Nametert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-4-yl]oxy-dimethylsilane
SMILESC=C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](/C=C/c2ccc(C(F)(F)F)cc2)N1C
InChIInChI=1S/C23H34F3NOSi/c1-8-19-15-21(28-29(6,7)22(2,3)4)16-20(27(19)5)14-11-17-9-12-18(13-10-17)23(24,25)26/h8-14,19-21H,1,15-16H2,2-7H3/b14-11+/t19-,20+,21+/m0/s1
InChIKeyZWQOOYWCBPNZCI-LLHFRWLPSA-N
XLogP6.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.61
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

US11214540, Example 6
CID 142475158
US11214540, Example 44
CID 142475328
US11214540, Example 39
CID 155138863
[(3R,5R)-1-benzyl-5-fluoropiperidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 135010175
5-(2,6-Dimethylmorpholin-4-yl)pentyl-dimethyl-[4-(trifluoromethyl)phenyl]silane
CID 21742312
CID 21754024
CID 21754024
CID 21754026
CID 21754026
CID 21754033
CID 21754033
CID 21754035
CID 21754035
CID 21754037
CID 21754037
CID 21754041
CID 21754041
CID 21754048
CID 21754048

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-4-yl]oxy-dimethylsilane (CID 135000053) is tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-4-yl]oxy-dimethylsilane is C=C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](/C=C/c2ccc(C(F)(F)F)cc2)N1C.
What is the InChIKey of tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-4-yl]oxy-dimethylsilane?
The InChIKey is ZWQOOYWCBPNZCI-LLHFRWLPSA-N. The full InChI is InChI=1S/C23H34F3NOSi/c1-8-19-15-21(28-29(6,7)22(2,3)4)16-20(27(19)5)14-11-17-9-12-18(13-10-17)23(24,25)26/h8-14,19-21H,1,15-16H2,2-7H3/b14-11+/t19-,20+,21+/m0/s1.
What are the key properties of tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-4-yl]oxy-dimethylsilane?
tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-4-yl]oxy-dimethylsilane has a molecular weight of 425.61 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidin-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 135000053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).