(4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone

C15H19F2NO — CID 738722

IUPAC(4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESCc1cc(F)c(F)cc1C(=O)N1[C@H](C)CCC[C@H]1C
InChIInChI=1S/C15H19F2NO/c1-9-7-13(16)14(17)8-12(9)15(19)18-10(2)5-4-6-11(18)3/h7-8,10-11H,4-6H2,1-3H3/t10-,11-/m1/s1
InChIKeyZRKUYSSMVKQIRW-GHMZBOCLSA-N
MW267.32 g/mol
LogP3.68
Rot. Bonds1

About (4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone

(4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 738722) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is (4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID738722
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC Name(4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESCc1cc(F)c(F)cc1C(=O)N1[C@H](C)CCC[C@H]1C
InChIInChI=1S/C15H19F2NO/c1-9-7-13(16)14(17)8-12(9)15(19)18-10(2)5-4-6-11(18)3/h7-8,10-11H,4-6H2,1-3H3/t10-,11-/m1/s1
InChIKeyZRKUYSSMVKQIRW-GHMZBOCLSA-N
XLogP3.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 600139
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
CID 103820381
(4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 593464
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103715025
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
(2,6-dimethylpiperidin-1-yl)-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60816431
(2-bromo-4-methylphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103848525
(2-chloro-4-methylphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 885739
(2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 105380192
(3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 106547486
(2-amino-4-chlorophenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690156
(2-amino-4-chlorophenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28690158

Frequently Asked Questions

What is the IUPAC name of (4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone (CID 738722) is (4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone is Cc1cc(F)c(F)cc1C(=O)N1[C@H](C)CCC[C@H]1C.
What is the InChIKey of (4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is ZRKUYSSMVKQIRW-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-9-7-13(16)14(17)8-12(9)15(19)18-10(2)5-4-6-11(18)3/h7-8,10-11H,4-6H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of (4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone?
(4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone has a molecular weight of 267.32 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-difluoro-2-methylphenyl)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 738722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).