4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-trimethylsilyloxypiperidine-2-carboxylic acid

C15H27F2NO5Si — CID 166454786

IUPAC4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-trimethylsilyloxypiperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(O[Si](C)(C)C)(C(F)F)CC1C(=O)O
InChIInChI=1S/C15H27F2NO5Si/c1-14(2,3)22-13(21)18-8-7-15(12(16)17,23-24(4,5)6)9-10(18)11(19)20/h10,12H,7-9H2,1-6H3,(H,19,20)
InChIKeySYUWMQJDFIMMJL-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.33
Rot. Bonds4

About 4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-trimethylsilyloxypiperidine-2-carboxylic acid

4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-trimethylsilyloxypiperidine-2-carboxylic acid (PubChem CID 166454786) has the molecular formula C15H27F2NO5Si and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-trimethylsilyloxypiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-trimethylsilyloxypiperidine-2-carboxylic acid
PubChem CID166454786
Molecular FormulaC15H27F2NO5Si
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC Name4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-trimethylsilyloxypiperidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(O[Si](C)(C)C)(C(F)F)CC1C(=O)O
InChIInChI=1S/C15H27F2NO5Si/c1-14(2,3)22-13(21)18-8-7-15(12(16)17,23-24(4,5)6)9-10(18)11(19)20/h10,12H,7-9H2,1-6H3,(H,19,20)
InChIKeySYUWMQJDFIMMJL-UHFFFAOYSA-N
XLogP3.33
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7S)-6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octane-7-carboxylic acid
CID 66848235
(7S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylic acid
CID 97301654
(2R)-4,4-diethoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 42552895
(2R,4S)-4-hydroxy-4-iodo-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 166799437
(3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-3-carboxylic acid
CID 163321517
(4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 58822358
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-3-carboxylic acid
CID 118990694
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridine-2-carboxylic acid
CID 53482071
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 688617
(2S,3S)-3-deuterio-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 176786597
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10537428
tert-butyl (6S)-6-acetyl-5-azaspiro[2.4]heptane-5-carboxylate;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 158632210

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-trimethylsilyloxypiperidine-2-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-trimethylsilyloxypiperidine-2-carboxylic acid (CID 166454786) is 4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-trimethylsilyloxypiperidine-2-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-trimethylsilyloxypiperidine-2-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-trimethylsilyloxypiperidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCC(O[Si](C)(C)C)(C(F)F)CC1C(=O)O.
What is the InChIKey of 4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-trimethylsilyloxypiperidine-2-carboxylic acid?
The InChIKey is SYUWMQJDFIMMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO5Si/c1-14(2,3)22-13(21)18-8-7-15(12(16)17,23-24(4,5)6)9-10(18)11(19)20/h10,12H,7-9H2,1-6H3,(H,19,20).
What are the key properties of 4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-trimethylsilyloxypiperidine-2-carboxylic acid?
4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-trimethylsilyloxypiperidine-2-carboxylic acid has a molecular weight of 367.47 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-trimethylsilyloxypiperidine-2-carboxylic acid is sourced from PubChem (CID 166454786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).