3-[tert-butyl(diphenyl)silyl]oxy-1-(2-methylpiperidin-1-yl)propan-1-one

C25H35NO2Si — CID 135391106

IUPAC3-[tert-butyl(diphenyl)silyl]oxy-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1C(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H35NO2Si/c1-21-13-11-12-19-26(21)24(27)18-20-28-29(25(2,3)4,22-14-7-5-8-15-22)23-16-9-6-10-17-23/h5-10,14-17,21H,11-13,18-20H2,1-4H3
InChIKeyFQCXWTVCYAGBKC-UHFFFAOYSA-N
MW409.65 g/mol
LogP4.35
Rot. Bonds6

About 3-[tert-butyl(diphenyl)silyl]oxy-1-(2-methylpiperidin-1-yl)propan-1-one

3-[tert-butyl(diphenyl)silyl]oxy-1-(2-methylpiperidin-1-yl)propan-1-one (PubChem CID 135391106) has the molecular formula C25H35NO2Si and a molecular weight of 409.65 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-1-(2-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxy-1-(2-methylpiperidin-1-yl)propan-1-one
PubChem CID135391106
Molecular FormulaC25H35NO2Si
Molecular Weight409.65 g/mol
Exact Mass409.24
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxy-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1C(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H35NO2Si/c1-21-13-11-12-19-26(21)24(27)18-20-28-29(25(2,3)4,22-14-7-5-8-15-22)23-16-9-6-10-17-23/h5-10,14-17,21H,11-13,18-20H2,1-4H3
InChIKeyFQCXWTVCYAGBKC-UHFFFAOYSA-N
XLogP4.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.65
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-((Tert-butyldiphenylsilyl)oxy)-2-fluoropropyl)-2-methylpiperidine
CID 135391118
3-((Tert-butyldiphenylsilyl)oxy)-2-fluoro-1-(2-methylpiperidin-1-yl)propan-1-one
CID 135391124
4-[Tert-butyl(diphenyl)silyl]oxypiperidine-1-carboxylic acid
CID 66709980
1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone
CID 67964999
N-(5-(tert-Butyldiphenylsilyloxy)pentyl)-N-isopropylheptanamide
CID 70819093
tert-Butyl 4-{[tert-butyl(diphenyl)silyl]oxy}piperidine-1-carboxylate
CID 86661577
4-[Tert-butyl(diphenyl)silyl]oxypiperidine-1-carbonyl chloride
CID 89564555
4-((tert-Butyldiphenylsilyl)oxy)piperidin-2-one
CID 90295657
(4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
CID 124674078
(+/-)-Tert-butyl 4-((tert-butyldiphenylsilyl)oxy)-2-oxopiperidine-1-carboxylate
CID 131747984
4-[Tert-butyl(diphenyl)silyl]oxy-2-oxopiperidine-1-carboxylic acid
CID 141439632
2-[Tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone
CID 175898326

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-1-(2-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-1-(2-methylpiperidin-1-yl)propan-1-one (CID 135391106) is 3-[tert-butyl(diphenyl)silyl]oxy-1-(2-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-1-(2-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-1-(2-methylpiperidin-1-yl)propan-1-one is CC1CCCCN1C(=O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-1-(2-methylpiperidin-1-yl)propan-1-one?
The InChIKey is FQCXWTVCYAGBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2Si/c1-21-13-11-12-19-26(21)24(27)18-20-28-29(25(2,3)4,22-14-7-5-8-15-22)23-16-9-6-10-17-23/h5-10,14-17,21H,11-13,18-20H2,1-4H3.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-1-(2-methylpiperidin-1-yl)propan-1-one?
3-[tert-butyl(diphenyl)silyl]oxy-1-(2-methylpiperidin-1-yl)propan-1-one has a molecular weight of 409.65 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxy-1-(2-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 135391106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).