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

C14H18BrF2NO — CID 167220074

IUPAC4-[4-bromo-2-(2,2-difluoroethoxy)phenyl]-1-methylpiperidine
SMILESCN1CCC(c2ccc(Br)cc2OCC(F)F)CC1
InChIInChI=1S/C14H18BrF2NO/c1-18-6-4-10(5-7-18)12-3-2-11(15)8-13(12)19-9-14(16)17/h2-3,8,10,14H,4-7,9H2,1H3
InChIKeyIHYOJOIMEZTLEG-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.90
Rot. Bonds4

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

4-[4-bromo-2-(2,2-difluoroethoxy)phenyl]-1-methylpiperidine (PubChem CID 167220074) has the molecular formula C14H18BrF2NO and a molecular weight of 334.20 g/mol. Its IUPAC name is 4-[4-bromo-2-(2,2-difluoroethoxy)phenyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[4-bromo-2-(2,2-difluoroethoxy)phenyl]-1-methylpiperidine
PubChem CID167220074
Molecular FormulaC14H18BrF2NO
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Name4-[4-bromo-2-(2,2-difluoroethoxy)phenyl]-1-methylpiperidine
SMILESCN1CCC(c2ccc(Br)cc2OCC(F)F)CC1
InChIInChI=1S/C14H18BrF2NO/c1-18-6-4-10(5-7-18)12-3-2-11(15)8-13(12)19-9-14(16)17/h2-3,8,10,14H,4-7,9H2,1H3
InChIKeyIHYOJOIMEZTLEG-UHFFFAOYSA-N
XLogP3.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-bromo-2-(2,2-difluoroethoxy)phenyl]-1-methylpiperidine?
The IUPAC name of 4-[4-bromo-2-(2,2-difluoroethoxy)phenyl]-1-methylpiperidine (CID 167220074) is 4-[4-bromo-2-(2,2-difluoroethoxy)phenyl]-1-methylpiperidine.
What is the SMILES notation for 4-[4-bromo-2-(2,2-difluoroethoxy)phenyl]-1-methylpiperidine?
The canonical SMILES for 4-[4-bromo-2-(2,2-difluoroethoxy)phenyl]-1-methylpiperidine is CN1CCC(c2ccc(Br)cc2OCC(F)F)CC1.
What is the InChIKey of 4-[4-bromo-2-(2,2-difluoroethoxy)phenyl]-1-methylpiperidine?
The InChIKey is IHYOJOIMEZTLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2NO/c1-18-6-4-10(5-7-18)12-3-2-11(15)8-13(12)19-9-14(16)17/h2-3,8,10,14H,4-7,9H2,1H3.
What are the key properties of 4-[4-bromo-2-(2,2-difluoroethoxy)phenyl]-1-methylpiperidine?
4-[4-bromo-2-(2,2-difluoroethoxy)phenyl]-1-methylpiperidine has a molecular weight of 334.20 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-bromo-2-(2,2-difluoroethoxy)phenyl]-1-methylpiperidine is sourced from PubChem (CID 167220074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).