2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol

C12H15BrFNO — CID 84814288

IUPAC2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol
SMILESOc1ccc(F)c(CC2CCCNC2)c1Br
InChIInChI=1S/C12H15BrFNO/c13-12-9(10(14)3-4-11(12)16)6-8-2-1-5-15-7-8/h3-4,8,15-16H,1-2,5-7H2
InChIKeyCMXYJCAAUPRILJ-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.84
Rot. Bonds2

About 2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol

2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol (PubChem CID 84814288) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol
PubChem CID84814288
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol
SMILESOc1ccc(F)c(CC2CCCNC2)c1Br
InChIInChI=1S/C12H15BrFNO/c13-12-9(10(14)3-4-11(12)16)6-8-2-1-5-15-7-8/h3-4,8,15-16H,1-2,5-7H2
InChIKeyCMXYJCAAUPRILJ-UHFFFAOYSA-N
XLogP2.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 117323650
2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol
CID 84790076
4-bromo-2-fluoro-3-(piperidin-3-ylmethyl)phenol
CID 84814289
3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine
CID 84814784
2-fluoro-4-methoxy-3-(piperidin-3-ylmethyl)phenol
CID 84799633
4-bromo-3,5-difluoro-2-(pyrrolidin-3-ylmethyl)phenol
CID 84814975
3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine
CID 117338299
4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol
CID 84810264
3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
CID 84802944
1-(piperidin-3-ylmethyl)naphthalen-2-ol
CID 84801092
3-[(6-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386358
3-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidine
CID 90697244

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol?
The IUPAC name of 2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol (CID 84814288) is 2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol.
What is the SMILES notation for 2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol?
The canonical SMILES for 2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol is Oc1ccc(F)c(CC2CCCNC2)c1Br.
What is the InChIKey of 2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol?
The InChIKey is CMXYJCAAUPRILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-12-9(10(14)3-4-11(12)16)6-8-2-1-5-15-7-8/h3-4,8,15-16H,1-2,5-7H2.
What are the key properties of 2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol?
2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol has a molecular weight of 288.16 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol is sourced from PubChem (CID 84814288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).