(2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone

C14H17F2NO — CID 898638

IUPAC(2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C14H17F2NO/c1-9-6-10(2)8-17(7-9)14(18)13-11(15)4-3-5-12(13)16/h3-5,9-10H,6-8H2,1-2H3/t9-,10+
InChIKeyXIWWYNKHCBXEGY-AOOOYVTPSA-N
MW253.29 g/mol
LogP3.08
Rot. Bonds1

About (2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone

(2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone (PubChem CID 898638) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
PubChem CID898638
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name(2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C14H17F2NO/c1-9-6-10(2)8-17(7-9)14(18)13-11(15)4-3-5-12(13)16/h3-5,9-10H,6-8H2,1-2H3/t9-,10+
InChIKeyXIWWYNKHCBXEGY-AOOOYVTPSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-6-fluorobenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119668
(3,5-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinylphenyl)methanone
CID 55100115
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
(3,5-dimethylpiperidin-1-yl)-(4-fluoro-1H-indol-2-yl)methanone
CID 47151027
(2-bromo-6-fluorophenyl)-[(3S,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124569718
2-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119182884
(3S,4S)-1-(2,6-difluorobenzoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951439
(3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone
CID 79993492
(3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82816396
(2,6-difluorophenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498326
(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217403
(3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107690384

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone (CID 898638) is (2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone is C[C@@H]1C[C@H](C)CN(C(=O)c2c(F)cccc2F)C1.
What is the InChIKey of (2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The InChIKey is XIWWYNKHCBXEGY-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-9-6-10(2)8-17(7-9)14(18)13-11(15)4-3-5-12(13)16/h3-5,9-10H,6-8H2,1-2H3/t9-,10+.
What are the key properties of (2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone?
(2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone has a molecular weight of 253.29 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 898638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).