(3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-[4-(trifluoromethyl)phenyl]piperidin-2-one

C20H19F4NO — CID 162351735

IUPAC(3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-[4-(trifluoromethyl)phenyl]piperidin-2-one
SMILESCC1(C)NC(=O)[C@@H](c2ccc(C(F)(F)F)cc2)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C20H19F4NO/c1-19(2)17(13-5-9-15(21)10-6-13)11-16(18(26)25-19)12-3-7-14(8-4-12)20(22,23)24/h3-10,16-17H,11H2,1-2H3,(H,25,26)/t16-,17+/m1/s1
InChIKeyBGOQTZJECRIECB-SJORKVTESA-N
MW365.37 g/mol
LogP5.01
Rot. Bonds2

About (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-[4-(trifluoromethyl)phenyl]piperidin-2-one

(3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-[4-(trifluoromethyl)phenyl]piperidin-2-one (PubChem CID 162351735) has the molecular formula C20H19F4NO and a molecular weight of 365.37 g/mol. Its IUPAC name is (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-[4-(trifluoromethyl)phenyl]piperidin-2-one.

Molecular Properties

Compound Name(3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-[4-(trifluoromethyl)phenyl]piperidin-2-one
PubChem CID162351735
Molecular FormulaC20H19F4NO
Molecular Weight365.37 g/mol
Exact Mass365.14
IUPAC Name(3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-[4-(trifluoromethyl)phenyl]piperidin-2-one
SMILESCC1(C)NC(=O)[C@@H](c2ccc(C(F)(F)F)cc2)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C20H19F4NO/c1-19(2)17(13-5-9-15(21)10-6-13)11-16(18(26)25-19)12-3-7-14(8-4-12)20(22,23)24/h3-10,16-17H,11H2,1-2H3,(H,25,26)/t16-,17+/m1/s1
InChIKeyBGOQTZJECRIECB-SJORKVTESA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.37
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-phenylpiperidin-2-one
CID 162351718
(3R,5S)-5-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-6,6-dimethylpiperidin-2-one
CID 162351732
(3R,5S)-3-(4-methoxyphenyl)-6,6-dimethyl-5-(4-methylphenyl)piperidin-2-one
CID 162351709
5-[4-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
CID 140521253
4-[(3S,5R)-5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-3-yl]pyridine
CID 3058152
6-fluoro-2-[4-(trifluoromethyl)phenyl]-4H-1,4-benzoxazin-3-one
CID 118982343
(1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 131848103
trans-(1S,2R)-1-methyl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 165456562
(4R)-7,7-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 7413494
1-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 62787435
1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442
(4R)-2,2-diethyl-4-[4-(trifluoromethyl)phenyl]cyclopentane-1,3-dione
CID 132536375

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-[4-(trifluoromethyl)phenyl]piperidin-2-one?
The IUPAC name of (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-[4-(trifluoromethyl)phenyl]piperidin-2-one (CID 162351735) is (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-[4-(trifluoromethyl)phenyl]piperidin-2-one.
What is the SMILES notation for (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-[4-(trifluoromethyl)phenyl]piperidin-2-one?
The canonical SMILES for (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-[4-(trifluoromethyl)phenyl]piperidin-2-one is CC1(C)NC(=O)[C@@H](c2ccc(C(F)(F)F)cc2)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-[4-(trifluoromethyl)phenyl]piperidin-2-one?
The InChIKey is BGOQTZJECRIECB-SJORKVTESA-N. The full InChI is InChI=1S/C20H19F4NO/c1-19(2)17(13-5-9-15(21)10-6-13)11-16(18(26)25-19)12-3-7-14(8-4-12)20(22,23)24/h3-10,16-17H,11H2,1-2H3,(H,25,26)/t16-,17+/m1/s1.
What are the key properties of (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-[4-(trifluoromethyl)phenyl]piperidin-2-one?
(3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-[4-(trifluoromethyl)phenyl]piperidin-2-one has a molecular weight of 365.37 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(4-fluorophenyl)-6,6-dimethyl-3-[4-(trifluoromethyl)phenyl]piperidin-2-one is sourced from PubChem (CID 162351735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).