tert-butyl-dimethyl-[(1S)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethoxy]silane

C20H35NOSi — CID 135010711

IUPACtert-butyl-dimethyl-[(1S)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethoxy]silane
SMILESCN1CCCC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H35NOSi/c1-20(2,3)23(5,6)22-19(17-12-8-7-9-13-17)16-18-14-10-11-15-21(18)4/h7-9,12-13,18-19H,10-11,14-16H2,1-6H3/t18-,19+/m1/s1
InChIKeyGZZDWZKODOBRDI-MOPGFXCFSA-N
MW333.59 g/mol
LogP5.62
Rot. Bonds5

About tert-butyl-dimethyl-[(1S)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethoxy]silane

tert-butyl-dimethyl-[(1S)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethoxy]silane (PubChem CID 135010711) has the molecular formula C20H35NOSi and a molecular weight of 333.59 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethoxy]silane
PubChem CID135010711
Molecular FormulaC20H35NOSi
Molecular Weight333.59 g/mol
Exact Mass333.25
IUPAC Nametert-butyl-dimethyl-[(1S)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethoxy]silane
SMILESCN1CCCC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C20H35NOSi/c1-20(2,3)23(5,6)22-19(17-12-8-7-9-13-17)16-18-14-10-11-15-21(18)4/h7-9,12-13,18-19H,10-11,14-16H2,1-6H3/t18-,19+/m1/s1
InChIKeyGZZDWZKODOBRDI-MOPGFXCFSA-N
XLogP5.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.59
LogP ≤ 55.62
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-dimethyl-[(1S)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(1S)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethoxy]silane (CID 135010711) is tert-butyl-dimethyl-[(1S)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(1S)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethoxy]silane is CN1CCCC[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(1S)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethoxy]silane?
The InChIKey is GZZDWZKODOBRDI-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H35NOSi/c1-20(2,3)23(5,6)22-19(17-12-8-7-9-13-17)16-18-14-10-11-15-21(18)4/h7-9,12-13,18-19H,10-11,14-16H2,1-6H3/t18-,19+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1S)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethoxy]silane?
tert-butyl-dimethyl-[(1S)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethoxy]silane has a molecular weight of 333.59 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethoxy]silane is sourced from PubChem (CID 135010711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).