(2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one

C19H19F2NO — CID 98345871

IUPAC(2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one
SMILESC[C@@H]1C(=O)[C@H](C)[C@@H](c2ccc(F)cc2)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H19F2NO/c1-11-17(13-3-7-15(20)8-4-13)22-18(12(2)19(11)23)14-5-9-16(21)10-6-14/h3-12,17-18,22H,1-2H3/t11-,12+,17+,18-
InChIKeyADBLCXKVLSFZLV-KZBLUPIWSA-N
MW315.36 g/mol
LogP4.19
Rot. Bonds2

About (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one

(2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one (PubChem CID 98345871) has the molecular formula C19H19F2NO and a molecular weight of 315.36 g/mol. Its IUPAC name is (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one.

Molecular Properties

Compound Name(2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one
PubChem CID98345871
Molecular FormulaC19H19F2NO
Molecular Weight315.36 g/mol
Exact Mass315.14
IUPAC Name(2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one
SMILESC[C@@H]1C(=O)[C@H](C)[C@@H](c2ccc(F)cc2)N[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H19F2NO/c1-11-17(13-3-7-15(20)8-4-13)22-18(12(2)19(11)23)14-5-9-16(21)10-6-14/h3-12,17-18,22H,1-2H3/t11-,12+,17+,18-
InChIKeyADBLCXKVLSFZLV-KZBLUPIWSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-3-methylaziridine
CID 71437972
4,5,9,10-tetrakis(4-fluorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione
CID 122374958
(3R,4S)-4-(4-fluorophenyl)-3-methoxyazetidin-2-one
CID 130754471
(2S,3S,5S,6R)-2,6-bis(2-hydroxyphenyl)-3,5-dimethylpiperidin-4-one
CID 6581730
(2R,3S,5R,6S)-3,5-dimethyl-2,6-bis(5-methylfuran-2-yl)piperidin-4-one
CID 102160928
2-(4-fluorophenyl)-3-methylazetidine
CID 66350538
(2R,3R,6S,7R)-3,6-dimethyl-2,7-diphenyl-1,4-diazepan-5-one
CID 15038927
(2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine
CID 82409458
2,4,6,8-tetrakis(4-chlorophenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 4050078
(2S,3R,6S)-3-methyl-2,6-bis(4-methylphenyl)piperidin-4-one
CID 100836349
ethane;4-(4-fluorophenyl)piperidine
CID 144692128
(3S,5R)-3-(4-fluorophenyl)-5-methylmorpholine
CID 95437543

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one?
The IUPAC name of (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one (CID 98345871) is (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one.
What is the SMILES notation for (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one?
The canonical SMILES for (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one is C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccc(F)cc2)N[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one?
The InChIKey is ADBLCXKVLSFZLV-KZBLUPIWSA-N. The full InChI is InChI=1S/C19H19F2NO/c1-11-17(13-3-7-15(20)8-4-13)22-18(12(2)19(11)23)14-5-9-16(21)10-6-14/h3-12,17-18,22H,1-2H3/t11-,12+,17+,18-.
What are the key properties of (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one?
(2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one has a molecular weight of 315.36 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R,6S)-2,6-bis(4-fluorophenyl)-3,5-dimethylpiperidin-4-one is sourced from PubChem (CID 98345871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).