3-(4-bromo-2-chloro-3-fluorophenyl)piperidine

C11H12BrClFN — CID 117472474

IUPAC3-(4-bromo-2-chloro-3-fluorophenyl)piperidine
SMILESFc1c(Br)ccc(C2CCCNC2)c1Cl
InChIInChI=1S/C11H12BrClFN/c12-9-4-3-8(10(13)11(9)14)7-2-1-5-15-6-7/h3-4,7,15H,1-2,5-6H2
InChIKeyGBAKJQHKRYGDRN-UHFFFAOYSA-N
MW292.58 g/mol
LogP3.71
Rot. Bonds1

About 3-(4-bromo-2-chloro-3-fluorophenyl)piperidine

3-(4-bromo-2-chloro-3-fluorophenyl)piperidine (PubChem CID 117472474) has the molecular formula C11H12BrClFN and a molecular weight of 292.58 g/mol. Its IUPAC name is 3-(4-bromo-2-chloro-3-fluorophenyl)piperidine.

Molecular Properties

Compound Name3-(4-bromo-2-chloro-3-fluorophenyl)piperidine
PubChem CID117472474
Molecular FormulaC11H12BrClFN
Molecular Weight292.58 g/mol
Exact Mass290.98
IUPAC Name3-(4-bromo-2-chloro-3-fluorophenyl)piperidine
SMILESFc1c(Br)ccc(C2CCCNC2)c1Cl
InChIInChI=1S/C11H12BrClFN/c12-9-4-3-8(10(13)11(9)14)7-2-1-5-15-6-7/h3-4,7,15H,1-2,5-6H2
InChIKeyGBAKJQHKRYGDRN-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.58
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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CID 130626655
3-(2,3-dichlorophenyl)piperidine
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CID 117475166
(3R)-3-(4-bromo-2-chlorophenyl)piperidine
CID 130852856
(3R)-3-(2-bromo-3-fluorophenyl)piperidine
CID 130628517
3-(3-bromo-2-fluorophenyl)pyrrolidine
CID 83720848
(3R)-3-(2,3-difluorophenyl)piperidine
CID 93478481
3-(7-bromo-1,3-benzodioxol-4-yl)piperidine
CID 117456883
(3R)-3-(2-bromo-5-iodophenyl)piperidine
CID 131218525
3-chloro-6-piperidin-3-ylbenzene-1,2-diol
CID 117327832
(3S)-3-(3-bromo-2-methylphenyl)piperidine
CID 130792046
(3S)-3-(5-bromo-2-chlorophenyl)piperidine
CID 130619016

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chloro-3-fluorophenyl)piperidine?
The IUPAC name of 3-(4-bromo-2-chloro-3-fluorophenyl)piperidine (CID 117472474) is 3-(4-bromo-2-chloro-3-fluorophenyl)piperidine.
What is the SMILES notation for 3-(4-bromo-2-chloro-3-fluorophenyl)piperidine?
The canonical SMILES for 3-(4-bromo-2-chloro-3-fluorophenyl)piperidine is Fc1c(Br)ccc(C2CCCNC2)c1Cl.
What is the InChIKey of 3-(4-bromo-2-chloro-3-fluorophenyl)piperidine?
The InChIKey is GBAKJQHKRYGDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClFN/c12-9-4-3-8(10(13)11(9)14)7-2-1-5-15-6-7/h3-4,7,15H,1-2,5-6H2.
What are the key properties of 3-(4-bromo-2-chloro-3-fluorophenyl)piperidine?
3-(4-bromo-2-chloro-3-fluorophenyl)piperidine has a molecular weight of 292.58 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chloro-3-fluorophenyl)piperidine is sourced from PubChem (CID 117472474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).