tert-butyl-diphenyl-[2-[(2S,6R)-6-[(2S)-2-phenylmethoxypentyl]piperidin-2-yl]ethoxy]silane

C35H49NO2Si — CID 23649560

IUPACtert-butyl-diphenyl-[2-[(2S,6R)-6-[(2S)-2-phenylmethoxypentyl]piperidin-2-yl]ethoxy]silane
SMILESCCC[C@@H](C[C@H]1CCC[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1)OCc1ccccc1
InChIInChI=1S/C35H49NO2Si/c1-5-16-32(37-28-29-17-9-6-10-18-29)27-31-20-15-19-30(36-31)25-26-38-39(35(2,3)4,33-21-11-7-12-22-33)34-23-13-8-14-24-34/h6-14,17-18,21-24,30-32,36H,5,15-16,19-20,25-28H2,1-4H3/t30-,31+,32-/m0/s1
InChIKeyKQOYHVNSDAGXQG-QAXCHELISA-N
MW543.87 g/mol
LogP7.24
Rot. Bonds13

About tert-butyl-diphenyl-[2-[(2S,6R)-6-[(2S)-2-phenylmethoxypentyl]piperidin-2-yl]ethoxy]silane

tert-butyl-diphenyl-[2-[(2S,6R)-6-[(2S)-2-phenylmethoxypentyl]piperidin-2-yl]ethoxy]silane (PubChem CID 23649560) has the molecular formula C35H49NO2Si and a molecular weight of 543.87 g/mol. Its IUPAC name is tert-butyl-diphenyl-[2-[(2S,6R)-6-[(2S)-2-phenylmethoxypentyl]piperidin-2-yl]ethoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[2-[(2S,6R)-6-[(2S)-2-phenylmethoxypentyl]piperidin-2-yl]ethoxy]silane
PubChem CID23649560
Molecular FormulaC35H49NO2Si
Molecular Weight543.87 g/mol
Exact Mass543.35
IUPAC Nametert-butyl-diphenyl-[2-[(2S,6R)-6-[(2S)-2-phenylmethoxypentyl]piperidin-2-yl]ethoxy]silane
SMILESCCC[C@@H](C[C@H]1CCC[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1)OCc1ccccc1
InChIInChI=1S/C35H49NO2Si/c1-5-16-32(37-28-29-17-9-6-10-18-29)27-31-20-15-19-30(36-31)25-26-38-39(35(2,3)4,33-21-11-7-12-22-33)34-23-13-8-14-24-34/h6-14,17-18,21-24,30-32,36H,5,15-16,19-20,25-28H2,1-4H3/t30-,31+,32-/m0/s1
InChIKeyKQOYHVNSDAGXQG-QAXCHELISA-N
XLogP7.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.87
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-diphenyl-[2-[(2S,6R)-6-[(2S)-2-phenylmethoxypentyl]piperidin-2-yl]ethoxy]silane with MolForge

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Related Compounds

[1-(2-Benzhydryloxy-ethyl)-piperidin-4-yl]-(3-phenyl-propyl)-amine
CID 10598649
4-phenyl-N-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]butan-1-amine
CID 164616564
4-phenyl-N-[2-[(2S,6R)-6-phenyloxan-2-yl]ethyl]butan-1-amine
CID 164628472
4-Benzhydryloxypiperidine
CID 3017584
9-Azabicyclo(3.3.1)nonane, 3-alpha-(o-methyldiphenylmethoxy)-
CID 23079
Benzperidine hydrochloride
CID 107135
4-(Diphenylmethoxy)piperidinium chloride
CID 44153518
(2R,4S)-4-benzhydryloxy-1-(2-phenylethyl)-2-propan-2-ylpiperidine
CID 24874572
4-(Diphenylmethoxy)-1-methylpiperidinium chloride
CID 43833355
N-[(2R,6S)-2,6-diphenyloxan-4-yl]acetamide
CID 12601075
(3R,5S)-3,4,5-tris(phenylmethoxy)piperidine
CID 14642638
2-(2-Benzhydryloxyethyl)piperidine
CID 107136

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[2-[(2S,6R)-6-[(2S)-2-phenylmethoxypentyl]piperidin-2-yl]ethoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[2-[(2S,6R)-6-[(2S)-2-phenylmethoxypentyl]piperidin-2-yl]ethoxy]silane (CID 23649560) is tert-butyl-diphenyl-[2-[(2S,6R)-6-[(2S)-2-phenylmethoxypentyl]piperidin-2-yl]ethoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[2-[(2S,6R)-6-[(2S)-2-phenylmethoxypentyl]piperidin-2-yl]ethoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[2-[(2S,6R)-6-[(2S)-2-phenylmethoxypentyl]piperidin-2-yl]ethoxy]silane is CCC[C@@H](C[C@H]1CCC[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1)OCc1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[2-[(2S,6R)-6-[(2S)-2-phenylmethoxypentyl]piperidin-2-yl]ethoxy]silane?
The InChIKey is KQOYHVNSDAGXQG-QAXCHELISA-N. The full InChI is InChI=1S/C35H49NO2Si/c1-5-16-32(37-28-29-17-9-6-10-18-29)27-31-20-15-19-30(36-31)25-26-38-39(35(2,3)4,33-21-11-7-12-22-33)34-23-13-8-14-24-34/h6-14,17-18,21-24,30-32,36H,5,15-16,19-20,25-28H2,1-4H3/t30-,31+,32-/m0/s1.
What are the key properties of tert-butyl-diphenyl-[2-[(2S,6R)-6-[(2S)-2-phenylmethoxypentyl]piperidin-2-yl]ethoxy]silane?
tert-butyl-diphenyl-[2-[(2S,6R)-6-[(2S)-2-phenylmethoxypentyl]piperidin-2-yl]ethoxy]silane has a molecular weight of 543.87 g/mol, XLogP of 7.24, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[2-[(2S,6R)-6-[(2S)-2-phenylmethoxypentyl]piperidin-2-yl]ethoxy]silane is sourced from PubChem (CID 23649560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).