4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine

C12H15BrFNO — CID 117465158

IUPAC4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
SMILESCOc1c(Br)ccc(F)c1C1CCNCC1
InChIInChI=1S/C12H15BrFNO/c1-16-12-9(13)2-3-10(14)11(12)8-4-6-15-7-5-8/h2-3,8,15H,4-7H2,1H3
InChIKeyMXCJSXTWAIKTPE-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.06
Rot. Bonds2

About 4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine

4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine (PubChem CID 117465158) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine.

Molecular Properties

Compound Name4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
PubChem CID117465158
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
SMILESCOc1c(Br)ccc(F)c1C1CCNCC1
InChIInChI=1S/C12H15BrFNO/c1-16-12-9(13)2-3-10(14)11(12)8-4-6-15-7-5-8/h2-3,8,15H,4-7H2,1H3
InChIKeyMXCJSXTWAIKTPE-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

2-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine
CID 117465059
4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine
CID 117499633
4-(2-chloro-6-fluoro-3-methoxyphenyl)piperidine
CID 84802229
5-bromo-3-fluoro-2-methoxy-4-piperidin-4-ylphenol
CID 117489232
5-bromo-4-fluoro-2-methoxy-3-piperidin-4-ylphenol
CID 117489235
4-(4-bromo-2,3-dimethoxy-6-methylphenyl)piperidine
CID 117499637
3-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)pyrrolidine
CID 117489218
1-bromo-4-fluoro-2,3-dimethoxybenzene
CID 58420229
4-bromo-2-fluoro-3-methoxy-6-piperidin-4-ylphenol
CID 117489228
4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116557
4-bromo-3-methyl-2-piperidin-4-ylphenol
CID 84712688
3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117359549

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine?
The IUPAC name of 4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine (CID 117465158) is 4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine.
What is the SMILES notation for 4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine?
The canonical SMILES for 4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine is COc1c(Br)ccc(F)c1C1CCNCC1.
What is the InChIKey of 4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine?
The InChIKey is MXCJSXTWAIKTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c1-16-12-9(13)2-3-10(14)11(12)8-4-6-15-7-5-8/h2-3,8,15H,4-7H2,1H3.
What are the key properties of 4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine?
4-(3-bromo-6-fluoro-2-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 4-(3-bromo-6-fluoro-2-methoxyphenyl)piperidine is sourced from PubChem (CID 117465158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).