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

C22H35NOSi — CID 102089525

IUPACtert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-phenylethenyl]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/c2ccccc2)N1C
InChIInChI=1S/C22H35NOSi/c1-8-19-16-21(24-25(6,7)22(2,3)4)17-20(23(19)5)15-14-18-12-10-9-11-13-18/h8-15,19-21H,1,16-17H2,2-7H3/b15-14+/t19-,20+,21+/m0/s1
InChIKeyRURJBWHYVXENOD-NRSPHGDISA-N
MW357.61 g/mol
LogP5.74
Rot. Bonds5

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

tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-dimethylsilane (PubChem CID 102089525) has the molecular formula C22H35NOSi and a molecular weight of 357.61 g/mol. Its IUPAC name is tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-dimethylsilane
PubChem CID102089525
Molecular FormulaC22H35NOSi
Molecular Weight357.61 g/mol
Exact Mass357.25
IUPAC Nametert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-phenylethenyl]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/c2ccccc2)N1C
InChIInChI=1S/C22H35NOSi/c1-8-19-16-21(24-25(6,7)22(2,3)4)17-20(23(19)5)15-14-18-12-10-9-11-13-18/h8-15,19-21H,1,16-17H2,2-7H3/b15-14+/t19-,20+,21+/m0/s1
InChIKeyRURJBWHYVXENOD-NRSPHGDISA-N
XLogP5.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.61
LogP ≤ 55.74
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-dimethylsilane (CID 102089525) is tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-phenylethenyl]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/c2ccccc2)N1C.
What is the InChIKey of tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-dimethylsilane?
The InChIKey is RURJBWHYVXENOD-NRSPHGDISA-N. The full InChI is InChI=1S/C22H35NOSi/c1-8-19-16-21(24-25(6,7)22(2,3)4)17-20(23(19)5)15-14-18-12-10-9-11-13-18/h8-15,19-21H,1,16-17H2,2-7H3/b15-14+/t19-,20+,21+/m0/s1.
What are the key properties of tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-dimethylsilane?
tert-butyl-[(2R,4R,6S)-2-ethenyl-1-methyl-6-[(E)-2-phenylethenyl]piperidin-4-yl]oxy-dimethylsilane has a molecular weight of 357.61 g/mol, XLogP of 5.74, 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-phenylethenyl]piperidin-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 102089525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).