2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone

C14H17BrFNO — CID 170456761

IUPAC2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)Cc1ccc(F)cc1Br
InChIInChI=1S/C14H17BrFNO/c1-10-4-2-3-7-17(10)14(18)8-11-5-6-12(16)9-13(11)15/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyQCLJPZXZTYOCQK-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.53
Rot. Bonds2

About 2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone

2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 170456761) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID170456761
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)Cc1ccc(F)cc1Br
InChIInChI=1S/C14H17BrFNO/c1-10-4-2-3-7-17(10)14(18)8-11-5-6-12(16)9-13(11)15/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyQCLJPZXZTYOCQK-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767008
2-(2-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 127119816
2-(2-bromo-5-fluorophenoxy)-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone
CID 172906952
methyl 1-[2-(2-bromo-4-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 170456776
2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 112808405
2-(2-chloro-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767331
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
2-[4-(4-fluorophenoxy)phenyl]-1-(2-methylpyrrolidin-1-yl)ethanone
CID 170963359
2-(2-bromo-4-fluorophenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 170456788
2-(2-methylphenyl)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 110728198
2-(4-hydroxyphenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 110465878
2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone
CID 81322400

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone (CID 170456761) is 2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)Cc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is QCLJPZXZTYOCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c1-10-4-2-3-7-17(10)14(18)8-11-5-6-12(16)9-13(11)15/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone?
2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 314.20 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 170456761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).