3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine

C13H16BrF2NO — CID 106264583

IUPAC3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine
SMILESCC1CCNCC1OCc1c(F)ccc(Br)c1F
InChIInChI=1S/C13H16BrF2NO/c1-8-4-5-17-6-12(8)18-7-9-11(15)3-2-10(14)13(9)16/h2-3,8,12,17H,4-7H2,1H3
InChIKeyMCKZBFPKMTVENT-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.24
Rot. Bonds3

About 3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine

3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine (PubChem CID 106264583) has the molecular formula C13H16BrF2NO and a molecular weight of 320.18 g/mol. Its IUPAC name is 3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine.

Molecular Properties

Compound Name3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine
PubChem CID106264583
Molecular FormulaC13H16BrF2NO
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine
SMILESCC1CCNCC1OCc1c(F)ccc(Br)c1F
InChIInChI=1S/C13H16BrF2NO/c1-8-4-5-17-6-12(8)18-7-9-11(15)3-2-10(14)13(9)16/h2-3,8,12,17H,4-7H2,1H3
InChIKeyMCKZBFPKMTVENT-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2,4-difluoro-3-[(4-methylcyclohexyl)oxymethyl]benzene
CID 106269828
1-bromo-3-(cyclopentyloxymethyl)-2,4-difluorobenzene
CID 106269710
1-bromo-3-(cyclobutyloxymethyl)-2,4-difluorobenzene
CID 106269971
2-[(3-bromo-2,6-difluorophenyl)methoxy]cycloheptan-1-amine
CID 106264576
4-methyl-3-phenylmethoxypiperidine
CID 102954119
4-methyl-3-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine
CID 102954321
4-[(4-methylpiperidin-3-yl)oxymethyl]pyridine
CID 102954056
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 114165846
4-[(2,3,6-trifluorophenyl)methoxy]piperidine
CID 68519539
4-methyl-3-(3-phenoxypropoxy)piperidine
CID 102954189
4-methyl-3-(thiophen-2-ylmethoxy)piperidine
CID 102954007
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 106264854

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine?
The IUPAC name of 3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine (CID 106264583) is 3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine.
What is the SMILES notation for 3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine?
The canonical SMILES for 3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine is CC1CCNCC1OCc1c(F)ccc(Br)c1F.
What is the InChIKey of 3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine?
The InChIKey is MCKZBFPKMTVENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO/c1-8-4-5-17-6-12(8)18-7-9-11(15)3-2-10(14)13(9)16/h2-3,8,12,17H,4-7H2,1H3.
What are the key properties of 3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine?
3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine has a molecular weight of 320.18 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2,6-difluorophenyl)methoxy]-4-methylpiperidine is sourced from PubChem (CID 106264583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).