(2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

C15H19BrFNO — CID 114593396

IUPAC(2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2cc(F)ccc2Br)C1
InChIInChI=1S/C15H19BrFNO/c1-9-6-10(2)11(3)18(8-9)15(19)13-7-12(17)4-5-14(13)16/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyFHBJPQQMZWWBGA-UHFFFAOYSA-N
MW328.23 g/mol
LogP4.09
Rot. Bonds1

About (2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

(2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 114593396) has the molecular formula C15H19BrFNO and a molecular weight of 328.23 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID114593396
Molecular FormulaC15H19BrFNO
Molecular Weight328.23 g/mol
Exact Mass327.06
IUPAC Name(2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2cc(F)ccc2Br)C1
InChIInChI=1S/C15H19BrFNO/c1-9-6-10(2)11(3)18(8-9)15(19)13-7-12(17)4-5-14(13)16/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyFHBJPQQMZWWBGA-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591861
(2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591834
(2R,3R)-1-(2-bromo-5-fluorobenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115089
(2-bromo-5-fluorophenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 79026052
5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)benzoic acid
CID 114593911
(4-fluoro-3-sulfanylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107036405
(2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 103274732
(2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593572
2-bromo-N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-5-fluorobenzamide
CID 51947889
(2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107689677
1-[4-(2-bromo-5-fluorobenzoyl)piperazin-1-yl]ethanone
CID 24692676
(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114596633

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 114593396) is (2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is CC1CC(C)C(C)N(C(=O)c2cc(F)ccc2Br)C1.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is FHBJPQQMZWWBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-9-6-10(2)11(3)18(8-9)15(19)13-7-12(17)4-5-14(13)16/h4-5,7,9-11H,6,8H2,1-3H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
(2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 328.23 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114593396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).