tert-butyl-[(2S,4R,6S)-1,2-dimethyl-6-phenylpiperidin-4-yl]oxy-dimethylsilane

C19H33NOSi — CID 102032791

IUPACtert-butyl-[(2S,4R,6S)-1,2-dimethyl-6-phenylpiperidin-4-yl]oxy-dimethylsilane
SMILESC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](c2ccccc2)N1C
InChIInChI=1S/C19H33NOSi/c1-15-13-17(21-22(6,7)19(2,3)4)14-18(20(15)5)16-11-9-8-10-12-16/h8-12,15,17-18H,13-14H2,1-7H3/t15-,17+,18-/m0/s1
InChIKeyVRNBEASNAGLORQ-JQHSSLGASA-N
MW319.56 g/mol
LogP5.23
Rot. Bonds3

About tert-butyl-[(2S,4R,6S)-1,2-dimethyl-6-phenylpiperidin-4-yl]oxy-dimethylsilane

tert-butyl-[(2S,4R,6S)-1,2-dimethyl-6-phenylpiperidin-4-yl]oxy-dimethylsilane (PubChem CID 102032791) has the molecular formula C19H33NOSi and a molecular weight of 319.56 g/mol. Its IUPAC name is tert-butyl-[(2S,4R,6S)-1,2-dimethyl-6-phenylpiperidin-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,4R,6S)-1,2-dimethyl-6-phenylpiperidin-4-yl]oxy-dimethylsilane
PubChem CID102032791
Molecular FormulaC19H33NOSi
Molecular Weight319.56 g/mol
Exact Mass319.23
IUPAC Nametert-butyl-[(2S,4R,6S)-1,2-dimethyl-6-phenylpiperidin-4-yl]oxy-dimethylsilane
SMILESC[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](c2ccccc2)N1C
InChIInChI=1S/C19H33NOSi/c1-15-13-17(21-22(6,7)19(2,3)4)14-18(20(15)5)16-11-9-8-10-12-16/h8-12,15,17-18H,13-14H2,1-7H3/t15-,17+,18-/m0/s1
InChIKeyVRNBEASNAGLORQ-JQHSSLGASA-N
XLogP5.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.56
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,4R,6S)-1,2-dimethyl-6-phenylpiperidin-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,4R,6S)-1,2-dimethyl-6-phenylpiperidin-4-yl]oxy-dimethylsilane (CID 102032791) is tert-butyl-[(2S,4R,6S)-1,2-dimethyl-6-phenylpiperidin-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,4R,6S)-1,2-dimethyl-6-phenylpiperidin-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,4R,6S)-1,2-dimethyl-6-phenylpiperidin-4-yl]oxy-dimethylsilane is C[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](c2ccccc2)N1C.
What is the InChIKey of tert-butyl-[(2S,4R,6S)-1,2-dimethyl-6-phenylpiperidin-4-yl]oxy-dimethylsilane?
The InChIKey is VRNBEASNAGLORQ-JQHSSLGASA-N. The full InChI is InChI=1S/C19H33NOSi/c1-15-13-17(21-22(6,7)19(2,3)4)14-18(20(15)5)16-11-9-8-10-12-16/h8-12,15,17-18H,13-14H2,1-7H3/t15-,17+,18-/m0/s1.
What are the key properties of tert-butyl-[(2S,4R,6S)-1,2-dimethyl-6-phenylpiperidin-4-yl]oxy-dimethylsilane?
tert-butyl-[(2S,4R,6S)-1,2-dimethyl-6-phenylpiperidin-4-yl]oxy-dimethylsilane has a molecular weight of 319.56 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,4R,6S)-1,2-dimethyl-6-phenylpiperidin-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 102032791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).