5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one

C12H13F3N2O — CID 22106511

IUPAC5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one
SMILESNC1CCC(=O)NC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)8-3-1-7(2-4-8)11-9(16)5-6-10(18)17-11/h1-4,9,11H,5-6,16H2,(H,17,18)
InChIKeyUAYKJEMTSJEUBM-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.98
Rot. Bonds1

About 5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one

5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one (PubChem CID 22106511) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one
PubChem CID22106511
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one
SMILESNC1CCC(=O)NC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)8-3-1-7(2-4-8)11-9(16)5-6-10(18)17-11/h1-4,9,11H,5-6,16H2,(H,17,18)
InChIKeyUAYKJEMTSJEUBM-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one
CID 67311120
5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one
CID 64539749
(5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one
CID 95369037
5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one
CID 106818871
5-amino-6-(3,5-dibromophenyl)piperidin-2-one
CID 91619282
8-[4-(trifluoromethyl)phenyl]azocan-2-one
CID 165498935
(4R,5S)-4-amino-5-phenylpyrrolidin-2-one
CID 95435375
5-[4-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
CID 140521253
4-amino-5-phenylpyrrolidin-2-one
CID 75606920
(4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71742226
3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]piperazine-2,5-dione
CID 64956925
4-tert-butyl-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81014706

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one?
The IUPAC name of 5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one (CID 22106511) is 5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one.
What is the SMILES notation for 5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one?
The canonical SMILES for 5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one is NC1CCC(=O)NC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one?
The InChIKey is UAYKJEMTSJEUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)8-3-1-7(2-4-8)11-9(16)5-6-10(18)17-11/h1-4,9,11H,5-6,16H2,(H,17,18).
What are the key properties of 5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one?
5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one has a molecular weight of 258.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one is sourced from PubChem (CID 22106511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).