1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine

C15H21BrFNO — CID 91800441

IUPAC1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine
SMILESCC1CCN(CCCOc2ccc(Br)cc2F)CC1
InChIInChI=1S/C15H21BrFNO/c1-12-5-8-18(9-6-12)7-2-10-19-15-4-3-13(16)11-14(15)17/h3-4,11-12H,2,5-10H2,1H3
InChIKeyRKOIQTFHHFPCIR-UHFFFAOYSA-N
MW330.24 g/mol
LogP4.09
Rot. Bonds5

About 1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine

1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine (PubChem CID 91800441) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine
PubChem CID91800441
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine
SMILESCC1CCN(CCCOc2ccc(Br)cc2F)CC1
InChIInChI=1S/C15H21BrFNO/c1-12-5-8-18(9-6-12)7-2-10-19-15-4-3-13(16)11-14(15)17/h3-4,11-12H,2,5-10H2,1H3
InChIKeyRKOIQTFHHFPCIR-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-bromo-2-methylphenoxy)butyl]-4-methylpiperidine
CID 2299722
N-[(5-bromo-2-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679783
1-[4-(2-bromophenoxy)butyl]-4-methylpiperidine
CID 2888107
1-[3-(4-bromo-2-methylphenoxy)propyl]pyrrolidine
CID 2296987
1-[3-(4-bromo-2-methylphenoxy)propyl]-4-methylpiperazine
CID 2296492
(3S,5S)-1-[3-(4-bromo-2-methylphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184296
1-[3-(4-bromo-2-methoxyphenoxy)propyl]piperidine
CID 169337129
1-[3-[4-bromo-2-(3-pyrrolidin-1-ylpropoxy)phenoxy]propyl]pyrrolidin-3-ol
CID 142298892
N-[5-(4-bromo-2-fluorophenoxy)pentyl]cyclopropanamine
CID 55077009
1-[4-(2,5-dimethylphenoxy)butyl]-4-methylpiperidine
CID 40804379
4-[3-[4-[3-(4-cyano-2-fluorophenoxy)propyl]piperazin-1-yl]propoxy]-3-fluorobenzonitrile
CID 67135650
1-[[5-bromo-2-(2,2-difluoroethoxy)phenyl]methyl]-4-methylpiperidine
CID 176514423

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine?
The IUPAC name of 1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine (CID 91800441) is 1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine.
What is the SMILES notation for 1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine?
The canonical SMILES for 1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine is CC1CCN(CCCOc2ccc(Br)cc2F)CC1.
What is the InChIKey of 1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine?
The InChIKey is RKOIQTFHHFPCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-12-5-8-18(9-6-12)7-2-10-19-15-4-3-13(16)11-14(15)17/h3-4,11-12H,2,5-10H2,1H3.
What are the key properties of 1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine?
1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine has a molecular weight of 330.24 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromo-2-fluorophenoxy)propyl]-4-methylpiperidine is sourced from PubChem (CID 91800441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).