(3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone

C14H17BrFNO — CID 106547486

IUPAC(3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(Br)c1F
InChIInChI=1S/C14H17BrFNO/c1-9-5-3-6-10(2)17(9)14(18)11-7-4-8-12(15)13(11)16/h4,7-10H,3,5-6H2,1-2H3/t9-,10+
InChIKeyRCXTVXQNVRXGFS-AOOOYVTPSA-N
MW314.20 g/mol
LogP3.99
Rot. Bonds1

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

(3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 106547486) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID106547486
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name(3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(Br)c1F
InChIInChI=1S/C14H17BrFNO/c1-9-5-3-6-10(2)17(9)14(18)11-7-4-8-12(15)13(11)16/h4,7-10H,3,5-6H2,1-2H3/t9-,10+
InChIKeyRCXTVXQNVRXGFS-AOOOYVTPSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone with MolForge

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Related Compounds

(2,6-dimethylpiperidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79883718
(3-bromo-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106544432
(3-bromo-2-fluorophenyl)-(4-methylazepan-1-yl)methanone
CID 106544396
(2,3-difluoro-4-pyridinyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 105380192
(2-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103755683
(2-bromo-3-nitrophenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104967303
(3-bromo-2-fluorophenyl)-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107951376
(2-bromo-4-methylphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 103848525
(3-amino-2-chlorophenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104966919
(3-bromo-2-fluorophenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 106548067
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[3-fluoro-2-(methylamino)-4-pyridinyl]methanone
CID 105387710
1-(3-bromo-2-fluorobenzoyl)piperidine-2-carboxylic acid
CID 107948932

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone (CID 106547486) is (3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone is C[C@@H]1CCC[C@H](C)N1C(=O)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is RCXTVXQNVRXGFS-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H17BrFNO/c1-9-5-3-6-10(2)17(9)14(18)11-7-4-8-12(15)13(11)16/h4,7-10H,3,5-6H2,1-2H3/t9-,10+.
What are the key properties of (3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone?
(3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone has a molecular weight of 314.20 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 106547486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).