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

C25H34FNO2Si — CID 135391124

IUPAC3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1C(=O)C(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34FNO2Si/c1-20-13-11-12-18-27(20)24(28)23(26)19-29-30(25(2,3)4,21-14-7-5-8-15-21)22-16-9-6-10-17-22/h5-10,14-17,20,23H,11-13,18-19H2,1-4H3
InChIKeyVPAYSZABIPOCPS-UHFFFAOYSA-N
MW427.64 g/mol
LogP4.30
Rot. Bonds6

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

3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(2-methylpiperidin-1-yl)propan-1-one (PubChem CID 135391124) has the molecular formula C25H34FNO2Si and a molecular weight of 427.64 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(2-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(2-methylpiperidin-1-yl)propan-1-one
PubChem CID135391124
Molecular FormulaC25H34FNO2Si
Molecular Weight427.64 g/mol
Exact Mass427.23
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1C(=O)C(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34FNO2Si/c1-20-13-11-12-18-27(20)24(28)23(26)19-29-30(25(2,3)4,21-14-7-5-8-15-21)22-16-9-6-10-17-22/h5-10,14-17,20,23H,11-13,18-19H2,1-4H3
InChIKeyVPAYSZABIPOCPS-UHFFFAOYSA-N
XLogP4.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.64
LogP ≤ 54.30
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
(3S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid
CID 172708228
(3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylic acid
CID 175815286
3-((Tert-butyldiphenylsilyl)oxy)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 135391106
1-[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]ethanone
CID 67964999
2-[Tert-butyl(diphenyl)silyl]oxy-1-piperidin-1-ylethanone
CID 175898326
5-[Tert-butyl(diphenyl)silyl]oxy-1-propan-2-ylpiperidin-2-one
CID 176393697
(Z)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-5-enamide
CID 10550232
Methyl 4-((tert-butyldiphenylsilyl)oxy)-2-oxopiperidine-1-carboxylate
CID 11058701
methyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylpiperidine-1-carboxylate
CID 11133917
methyl (2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-2-prop-2-enylpiperidine-1-carboxylate
CID 11729839
(E)-6-[tert-butyl(diphenyl)silyl]oxy-N,N-diethylhex-5-enamide
CID 15527220

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(2-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(2-methylpiperidin-1-yl)propan-1-one (CID 135391124) is 3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(2-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(2-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(2-methylpiperidin-1-yl)propan-1-one is CC1CCCCN1C(=O)C(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(2-methylpiperidin-1-yl)propan-1-one?
The InChIKey is VPAYSZABIPOCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FNO2Si/c1-20-13-11-12-18-27(20)24(28)23(26)19-29-30(25(2,3)4,21-14-7-5-8-15-21)22-16-9-6-10-17-22/h5-10,14-17,20,23H,11-13,18-19H2,1-4H3.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(2-methylpiperidin-1-yl)propan-1-one?
3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(2-methylpiperidin-1-yl)propan-1-one has a molecular weight of 427.64 g/mol, XLogP of 4.30, 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-2-fluoro-1-(2-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 135391124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).