3-(3-Isocyanato-4-methoxyphenyl)-1-trifluoroacetyl-piperidine

HCID 20042559
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Basic information

Standard SMILES
COc1ccc(C2CCCN(C(=O)C(F)(F)F)C2)cc1N=C=O
InChIKey
DOCKHHKOTZAONL-UHFFFAOYSA-N
Molecular formula
C15H15F3N2O3
Average molar mass
328.29 g/mol
Monoisotopic mass
328.10347683

Names & identifiers

Preferred name
3-(3-Isocyanato-4-methoxyphenyl)-1-trifluoroacetyl-piperidine
IUPAC
2,2,2-trifluoro-1-[3-(3-isocyanato-4-methoxyphenyl)piperidin-1-yl]ethanone

Names & synonyms

3-(3-isocyanato-4-methoxyphenyl)-1-trifluoroacetyl-piperidineSCHEMBL10491590

Database identifiers

PubChem CID
20042559

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
59 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

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