4-(3-bromophenyl)-3-fluoropiperidine

C11H13BrFN — CID 105426889

IUPAC4-(3-bromophenyl)-3-fluoropiperidine
SMILESFC1CNCCC1c1cccc(Br)c1
InChIInChI=1S/C11H13BrFN/c12-9-3-1-2-8(6-9)10-4-5-14-7-11(10)13/h1-3,6,10-11,14H,4-5,7H2
InChIKeyQJCYQJGCTDNKJY-UHFFFAOYSA-N
MW258.13 g/mol
LogP2.86
Rot. Bonds1

About 4-(3-bromophenyl)-3-fluoropiperidine

4-(3-bromophenyl)-3-fluoropiperidine (PubChem CID 105426889) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-fluoropiperidine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-fluoropiperidine
PubChem CID105426889
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name4-(3-bromophenyl)-3-fluoropiperidine
SMILESFC1CNCCC1c1cccc(Br)c1
InChIInChI=1S/C11H13BrFN/c12-9-3-1-2-8(6-9)10-4-5-14-7-11(10)13/h1-3,6,10-11,14H,4-5,7H2
InChIKeyQJCYQJGCTDNKJY-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-4-(3-fluorophenyl)piperidine
CID 83855496
4-(3-bromophenyl)-3-(3-methylphenyl)piperidine
CID 79441754
3-(3-bromophenyl)-4-cyclopropylpiperidine
CID 79432038
3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine
CID 79430909
3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine
CID 79429992
3-(3-bromophenyl)-4-(2-chlorophenyl)piperidine
CID 79430057
4-(3-bromophenyl)-3-(2-methylpropyl)piperidine
CID 79321198
3-(3-bromophenyl)-4-(2,5-dimethylphenyl)piperidine
CID 79430904
3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine
CID 79433028
3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine
CID 79431218
4-(3-bromophenyl)piperidine;hydrochloride
CID 46735221
4-[(3S)-3-fluoropiperidin-4-yl]phenol
CID 118225535

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-fluoropiperidine?
The IUPAC name of 4-(3-bromophenyl)-3-fluoropiperidine (CID 105426889) is 4-(3-bromophenyl)-3-fluoropiperidine.
What is the SMILES notation for 4-(3-bromophenyl)-3-fluoropiperidine?
The canonical SMILES for 4-(3-bromophenyl)-3-fluoropiperidine is FC1CNCCC1c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-3-fluoropiperidine?
The InChIKey is QJCYQJGCTDNKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c12-9-3-1-2-8(6-9)10-4-5-14-7-11(10)13/h1-3,6,10-11,14H,4-5,7H2.
What are the key properties of 4-(3-bromophenyl)-3-fluoropiperidine?
4-(3-bromophenyl)-3-fluoropiperidine has a molecular weight of 258.13 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-fluoropiperidine is sourced from PubChem (CID 105426889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).