1-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]-4-methylpiperidine

C15H20BrF2NO — CID 176514423

IUPAC1-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]-4-methylpiperidine
SMILESCC1CCN(Cc2cc(Br)ccc2OCC(F)F)CC1
InChIInChI=1S/C15H20BrF2NO/c1-11-4-6-19(7-5-11)9-12-8-13(16)2-3-14(12)20-10-15(17)18/h2-3,8,11,15H,4-7,9-10H2,1H3
InChIKeyZTCIQSFPQVGKPP-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.32
Rot. Bonds5

About 1-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]-4-methylpiperidine

1-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]-4-methylpiperidine (PubChem CID 176514423) has the molecular formula C15H20BrF2NO and a molecular weight of 348.23 g/mol. Its IUPAC name is 1-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]-4-methylpiperidine
PubChem CID176514423
Molecular FormulaC15H20BrF2NO
Molecular Weight348.23 g/mol
Exact Mass347.07
IUPAC Name1-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]-4-methylpiperidine
SMILESCC1CCN(Cc2cc(Br)ccc2OCC(F)F)CC1
InChIInChI=1S/C15H20BrF2NO/c1-11-4-6-19(7-5-11)9-12-8-13(16)2-3-14(12)20-10-15(17)18/h2-3,8,11,15H,4-7,9-10H2,1H3
InChIKeyZTCIQSFPQVGKPP-UHFFFAOYSA-N
XLogP4.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine
CID 63456658
1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine
CID 91800441
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine
CID 1333767
1-[(5-bromo-2-methoxyphenyl)methyl]-4-methylsulfanylazepane
CID 114237822
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
5-bromo-2-(2,2-difluoroethoxy)benzoic acid
CID 60922935
N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]oxolan-3-amine
CID 176514402
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(bromomethyl)pyrrolidine
CID 80691732
N-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]butan-1-amine
CID 176514391
1-[4-(4-bromo-2-methylphenoxy)butyl]-4-methylpiperidine
CID 2299722
4-[(5-bromo-2-methoxyphenyl)methyl]thiomorpholine
CID 763011
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129

Frequently Asked Questions

What is the IUPAC name of 1-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]-4-methylpiperidine (CID 176514423) is 1-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]-4-methylpiperidine is CC1CCN(Cc2cc(Br)ccc2OCC(F)F)CC1.
What is the InChIKey of 1-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]-4-methylpiperidine?
The InChIKey is ZTCIQSFPQVGKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2NO/c1-11-4-6-19(7-5-11)9-12-8-13(16)2-3-14(12)20-10-15(17)18/h2-3,8,11,15H,4-7,9-10H2,1H3.
What are the key properties of 1-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]-4-methylpiperidine?
1-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]-4-methylpiperidine has a molecular weight of 348.23 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]-4-methylpiperidine is sourced from PubChem (CID 176514423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).