2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine

C13H17BrFN — CID 104703716

IUPAC2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine
SMILESFc1ccc(CCC2CCCCN2)cc1Br
InChIInChI=1S/C13H17BrFN/c14-12-9-10(5-7-13(12)15)4-6-11-3-1-2-8-16-11/h5,7,9,11,16H,1-4,6,8H2
InChIKeyDYDSBKZUBBGCHJ-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.66
Rot. Bonds3

About 2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine

2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine (PubChem CID 104703716) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine
PubChem CID104703716
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine
SMILESFc1ccc(CCC2CCCCN2)cc1Br
InChIInChI=1S/C13H17BrFN/c14-12-9-10(5-7-13(12)15)4-6-11-3-1-2-8-16-11/h5,7,9,11,16H,1-4,6,8H2
InChIKeyDYDSBKZUBBGCHJ-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621823
2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395
3-[2-(3-bromo-4-fluorophenyl)ethyl]pyrrolidine
CID 84713269
2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine
CID 104703835
[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211164
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine
CID 60869539
2-[2-(3-methylphenyl)ethyl]azepane
CID 62544067
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]azepane
CID 104703899
2-[2-(3-methoxyphenyl)ethyl]azepane
CID 113443145
2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
CID 43329124

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine?
The IUPAC name of 2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine (CID 104703716) is 2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine.
What is the SMILES notation for 2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine?
The canonical SMILES for 2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine is Fc1ccc(CCC2CCCCN2)cc1Br.
What is the InChIKey of 2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine?
The InChIKey is DYDSBKZUBBGCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c14-12-9-10(5-7-13(12)15)4-6-11-3-1-2-8-16-11/h5,7,9,11,16H,1-4,6,8H2.
What are the key properties of 2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine?
2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine has a molecular weight of 286.19 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine is sourced from PubChem (CID 104703716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).