(2R,3S,5R,6S)-2,6-bis(2,6-difluorophenyl)-1,3,5-trimethylpiperidin-4-one

C20H19F4NO — CID 11793206

IUPAC(2R,3S,5R,6S)-2,6-bis(2,6-difluorophenyl)-1,3,5-trimethylpiperidin-4-one
SMILESC[C@@H]1C(=O)[C@H](C)[C@@H](c2c(F)cccc2F)N(C)[C@H]1c1c(F)cccc1F
InChIInChI=1S/C20H19F4NO/c1-10-18(16-12(21)6-4-7-13(16)22)25(3)19(11(2)20(10)26)17-14(23)8-5-9-15(17)24/h4-11,18-19H,1-3H3/t10-,11+,18+,19-
InChIKeyGQPTWERIDBVLHM-OEULCZBFSA-N
MW365.37 g/mol
LogP4.81
Rot. Bonds2

About (2R,3S,5R,6S)-2,6-bis(2,6-difluorophenyl)-1,3,5-trimethylpiperidin-4-one

(2R,3S,5R,6S)-2,6-bis(2,6-difluorophenyl)-1,3,5-trimethylpiperidin-4-one (PubChem CID 11793206) has the molecular formula C20H19F4NO and a molecular weight of 365.37 g/mol. Its IUPAC name is (2R,3S,5R,6S)-2,6-bis(2,6-difluorophenyl)-1,3,5-trimethylpiperidin-4-one.

Molecular Properties

Compound Name(2R,3S,5R,6S)-2,6-bis(2,6-difluorophenyl)-1,3,5-trimethylpiperidin-4-one
PubChem CID11793206
Molecular FormulaC20H19F4NO
Molecular Weight365.37 g/mol
Exact Mass365.14
IUPAC Name(2R,3S,5R,6S)-2,6-bis(2,6-difluorophenyl)-1,3,5-trimethylpiperidin-4-one
SMILESC[C@@H]1C(=O)[C@H](C)[C@@H](c2c(F)cccc2F)N(C)[C@H]1c1c(F)cccc1F
InChIInChI=1S/C20H19F4NO/c1-10-18(16-12(21)6-4-7-13(16)22)25(3)19(11(2)20(10)26)17-14(23)8-5-9-15(17)24/h4-11,18-19H,1-3H3/t10-,11+,18+,19-
InChIKeyGQPTWERIDBVLHM-OEULCZBFSA-N
XLogP4.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R,6S)-2,6-bis(2,6-difluorophenyl)-1,3,5-trimethylpiperidin-4-one?
The IUPAC name of (2R,3S,5R,6S)-2,6-bis(2,6-difluorophenyl)-1,3,5-trimethylpiperidin-4-one (CID 11793206) is (2R,3S,5R,6S)-2,6-bis(2,6-difluorophenyl)-1,3,5-trimethylpiperidin-4-one.
What is the SMILES notation for (2R,3S,5R,6S)-2,6-bis(2,6-difluorophenyl)-1,3,5-trimethylpiperidin-4-one?
The canonical SMILES for (2R,3S,5R,6S)-2,6-bis(2,6-difluorophenyl)-1,3,5-trimethylpiperidin-4-one is C[C@@H]1C(=O)[C@H](C)[C@@H](c2c(F)cccc2F)N(C)[C@H]1c1c(F)cccc1F.
What is the InChIKey of (2R,3S,5R,6S)-2,6-bis(2,6-difluorophenyl)-1,3,5-trimethylpiperidin-4-one?
The InChIKey is GQPTWERIDBVLHM-OEULCZBFSA-N. The full InChI is InChI=1S/C20H19F4NO/c1-10-18(16-12(21)6-4-7-13(16)22)25(3)19(11(2)20(10)26)17-14(23)8-5-9-15(17)24/h4-11,18-19H,1-3H3/t10-,11+,18+,19-.
What are the key properties of (2R,3S,5R,6S)-2,6-bis(2,6-difluorophenyl)-1,3,5-trimethylpiperidin-4-one?
(2R,3S,5R,6S)-2,6-bis(2,6-difluorophenyl)-1,3,5-trimethylpiperidin-4-one has a molecular weight of 365.37 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R,6S)-2,6-bis(2,6-difluorophenyl)-1,3,5-trimethylpiperidin-4-one is sourced from PubChem (CID 11793206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).