3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine

C12H15BrFNO — CID 117465048

IUPAC3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine
SMILESCOc1cc(C2CCCNC2)cc(Br)c1F
InChIInChI=1S/C12H15BrFNO/c1-16-11-6-9(5-10(13)12(11)14)8-3-2-4-15-7-8/h5-6,8,15H,2-4,7H2,1H3
InChIKeyHOSPBPUZRKFSPK-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.06
Rot. Bonds2

About 3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine

3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine (PubChem CID 117465048) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine.

Molecular Properties

Compound Name3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine
PubChem CID117465048
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine
SMILESCOc1cc(C2CCCNC2)cc(Br)c1F
InChIInChI=1S/C12H15BrFNO/c1-16-11-6-9(5-10(13)12(11)14)8-3-2-4-15-7-8/h5-6,8,15H,2-4,7H2,1H3
InChIKeyHOSPBPUZRKFSPK-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-3,5-dimethoxyphenyl)piperidine
CID 84799696
(3R)-3-(3,4-difluoro-5-methoxyphenyl)piperidine
CID 99945845
3-(3-bromo-5-methoxy-4-methylphenyl)piperidine
CID 117457367
3-(4-fluoro-3-methoxy-5-methylphenyl)piperidine
CID 117320080
3-[(3-bromo-4-fluoro-5-methoxyphenyl)methyl]piperidine
CID 117486667
3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)piperidine
CID 117381984
(3R)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713053
(3S)-3-(4-bromo-2,5-dimethoxyphenyl)piperidine
CID 94713052
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848
3-(4-bromo-3-methoxy-5-methylphenyl)pyrrolidine
CID 84808965
3-(3-bromo-4-methylphenyl)piperidine
CID 82381644
3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine
CID 117489218

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine?
The IUPAC name of 3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine (CID 117465048) is 3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine.
What is the SMILES notation for 3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine?
The canonical SMILES for 3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine is COc1cc(C2CCCNC2)cc(Br)c1F.
What is the InChIKey of 3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine?
The InChIKey is HOSPBPUZRKFSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-16-11-6-9(5-10(13)12(11)14)8-3-2-4-15-7-8/h5-6,8,15H,2-4,7H2,1H3.
What are the key properties of 3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine?
3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine has a molecular weight of 288.16 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluoro-5-methoxyphenyl)piperidine is sourced from PubChem (CID 117465048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).