4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine

C15H21BrFN — CID 117499962

IUPAC4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine
SMILESCC(C)c1cc(CC2CCNCC2)cc(Br)c1F
InChIInChI=1S/C15H21BrFN/c1-10(2)13-8-12(9-14(16)15(13)17)7-11-3-5-18-6-4-11/h8-11,18H,3-7H2,1-2H3
InChIKeyWQCPCOVHJLFYCD-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.25
Rot. Bonds3

About 4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine

4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine (PubChem CID 117499962) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is 4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine
PubChem CID117499962
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine
SMILESCC(C)c1cc(CC2CCNCC2)cc(Br)c1F
InChIInChI=1S/C15H21BrFN/c1-10(2)13-8-12(9-14(16)15(13)17)7-11-3-5-18-6-4-11/h8-11,18H,3-7H2,1-2H3
InChIKeyWQCPCOVHJLFYCD-UHFFFAOYSA-N
XLogP4.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-fluoro-3-propan-2-ylphenyl)methyl]piperidine
CID 117343574
4-[(3-bromo-2,6-difluoro-5-methylphenyl)methyl]piperidine
CID 117489284
3-[(3-bromo-4-fluoro-5-methylphenyl)methyl]pyrrolidine
CID 84809637
3-[(3-bromo-4-propan-2-ylphenyl)methyl]pyrrolidine
CID 84812337
4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
CID 86007003
4-[(3-bromo-4-fluorophenyl)methyl]azepane
CID 83262334
4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
CID 84815312
4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine
CID 84813696
6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol
CID 117491239
4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117495209
2-(3-bromo-4-fluoro-5-propan-2-ylphenyl)piperidine
CID 117483845
3-[(3-bromo-4-methylsulfanylphenyl)methyl]pyrrolidine
CID 84813773

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine?
The IUPAC name of 4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine (CID 117499962) is 4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine is CC(C)c1cc(CC2CCNCC2)cc(Br)c1F.
What is the InChIKey of 4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine?
The InChIKey is WQCPCOVHJLFYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-10(2)13-8-12(9-14(16)15(13)17)7-11-3-5-18-6-4-11/h8-11,18H,3-7H2,1-2H3.
What are the key properties of 4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine?
4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine has a molecular weight of 314.24 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-fluoro-5-propan-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 117499962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).