2-(4-bromophenyl)-3-fluoro-3-methylpiperidine

C12H15BrFN — CID 84730127

IUPAC2-(4-bromophenyl)-3-fluoro-3-methylpiperidine
SMILESCC1(F)CCCNC1c1ccc(Br)cc1
InChIInChI=1S/C12H15BrFN/c1-12(14)7-2-8-15-11(12)9-3-5-10(13)6-4-9/h3-6,11,15H,2,7-8H2,1H3
InChIKeyGZDFWXSLCDOAHZ-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.60
Rot. Bonds1

About 2-(4-bromophenyl)-3-fluoro-3-methylpiperidine

2-(4-bromophenyl)-3-fluoro-3-methylpiperidine (PubChem CID 84730127) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-fluoro-3-methylpiperidine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-fluoro-3-methylpiperidine
PubChem CID84730127
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC Name2-(4-bromophenyl)-3-fluoro-3-methylpiperidine
SMILESCC1(F)CCCNC1c1ccc(Br)cc1
InChIInChI=1S/C12H15BrFN/c1-12(14)7-2-8-15-11(12)9-3-5-10(13)6-4-9/h3-6,11,15H,2,7-8H2,1H3
InChIKeyGZDFWXSLCDOAHZ-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-Bromophenyl)ethylamine
CID 91175
7-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
Benzenemethanamine, 3-bromo-N-ethyl-
CID 457589
Benzenemethanamine, 4-bromo-N-methyl-
CID 485400
[2-(4-Bromophenyl)ethyl](methyl)amine
CID 18367556
1-[(4-Bromophenyl)methyl]piperazine
CID 876494
1-[(4-Bromophenyl)(phenyl)methyl]piperazine
CID 3704699
[2-(4-Bromo-phenyl)-1-methyl-ethyl]-(3-phenyl-propyl)-amine
CID 15061898
7-Bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 44405495
N-(4-bromobenzyl)-N-(4-fluorobenzyl)amine
CID 834418
Benzenemethanamine, 3-bromo-N-propyl-
CID 457590
Benzenemethanamine, 3-bromo-N-butyl-
CID 457591

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-fluoro-3-methylpiperidine?
The IUPAC name of 2-(4-bromophenyl)-3-fluoro-3-methylpiperidine (CID 84730127) is 2-(4-bromophenyl)-3-fluoro-3-methylpiperidine.
What is the SMILES notation for 2-(4-bromophenyl)-3-fluoro-3-methylpiperidine?
The canonical SMILES for 2-(4-bromophenyl)-3-fluoro-3-methylpiperidine is CC1(F)CCCNC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-fluoro-3-methylpiperidine?
The InChIKey is GZDFWXSLCDOAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-12(14)7-2-8-15-11(12)9-3-5-10(13)6-4-9/h3-6,11,15H,2,7-8H2,1H3.
What are the key properties of 2-(4-bromophenyl)-3-fluoro-3-methylpiperidine?
2-(4-bromophenyl)-3-fluoro-3-methylpiperidine has a molecular weight of 272.16 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-fluoro-3-methylpiperidine is sourced from PubChem (CID 84730127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).