(3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone

C14H17BrFNO2 — CID 102677604

IUPAC(3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2ccc(F)c(Br)c2)CCC1C
InChIInChI=1S/C14H17BrFNO2/c1-9-5-6-17(8-13(9)19-2)14(18)10-3-4-12(16)11(15)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyMMTXSMYAKOCPHB-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.09
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone

(3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102677604) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
PubChem CID102677604
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name(3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2ccc(F)c(Br)c2)CCC1C
InChIInChI=1S/C14H17BrFNO2/c1-9-5-6-17(8-13(9)19-2)14(18)10-3-4-12(16)11(15)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyMMTXSMYAKOCPHB-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103706547
(3-bromo-4-fluorophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71922611
(3,5-difluoro-4-hydrazinylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102971176
2,3-dihydro-1H-isoindol-5-yl-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102957540
(2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677558
[(3S)-3-aminopyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119934528
[3-(1-aminoethyl)pyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone
CID 113356586
(3-bromo-4-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348315
(4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119376292
1-[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 103706279
N'-hydroxy-3-(3-methoxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 102963396
(3,4-dimethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 115872321

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone (CID 102677604) is (3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone is COC1CN(C(=O)c2ccc(F)c(Br)c2)CCC1C.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is MMTXSMYAKOCPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c1-9-5-6-17(8-13(9)19-2)14(18)10-3-4-12(16)11(15)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone?
(3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 330.20 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102677604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).