(4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone

C14H17BrFNO — CID 167312115

IUPAC(4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCCC2C)c(F)cc1Br
InChIInChI=1S/C14H17BrFNO/c1-9-7-11(13(16)8-12(9)15)14(18)17-6-4-3-5-10(17)2/h7-8,10H,3-6H2,1-2H3
InChIKeyCHJASDABJMDYHI-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.91
Rot. Bonds1

About (4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone

(4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 167312115) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is (4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID167312115
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name(4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCCC2C)c(F)cc1Br
InChIInChI=1S/C14H17BrFNO/c1-9-7-11(13(16)8-12(9)15)14(18)17-6-4-3-5-10(17)2/h7-8,10H,3-6H2,1-2H3
InChIKeyCHJASDABJMDYHI-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 65373226
(2-bromo-5-fluoro-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 172913966
(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 593303
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
(5-bromo-2-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 65308017
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717
(5-bromo-2-fluoro-4-methylphenyl)-piperidin-1-ylmethanone
CID 146171182
(5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60974941
[2-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 112701238
(2-chloro-5,6-difluoro-3-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 876122
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 35523795
(5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone
CID 50849833

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone (CID 167312115) is (4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCCCC2C)c(F)cc1Br.
What is the InChIKey of (4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is CHJASDABJMDYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c1-9-7-11(13(16)8-12(9)15)14(18)17-6-4-3-5-10(17)2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of (4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone?
(4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 314.20 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 167312115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).