4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol

C13H17BrFNO — CID 117486676

IUPAC4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol
SMILESCc1c(Br)cc(F)c(O)c1CC1CCNCC1
InChIInChI=1S/C13H17BrFNO/c1-8-10(6-9-2-4-16-5-3-9)13(17)12(15)7-11(8)14/h7,9,16-17H,2-6H2,1H3
InChIKeyZYQSUYCGLAANTI-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.14
Rot. Bonds2

About 4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol

4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol (PubChem CID 117486676) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol
PubChem CID117486676
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol
SMILESCc1c(Br)cc(F)c(O)c1CC1CCNCC1
InChIInChI=1S/C13H17BrFNO/c1-8-10(6-9-2-4-16-5-3-9)13(17)12(15)7-11(8)14/h7,9,16-17H,2-6H2,1H3
InChIKeyZYQSUYCGLAANTI-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol
CID 117491239
4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84812931
4-[(6-bromo-5-methyl-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117497282
4-chloro-3,6-difluoro-2-(piperidin-4-ylmethyl)phenol
CID 117409129
4-[(3-bromo-2,6-difluoro-5-methylphenyl)methyl]piperidine
CID 117489284
3-bromo-2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)phenol
CID 84812896
4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine
CID 84813696
3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84789130
2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol
CID 117364513
3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786990
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
4-ethyl-2-fluoro-6-(piperidin-4-ylmethyl)phenol
CID 84798682

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol (CID 117486676) is 4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol is Cc1c(Br)cc(F)c(O)c1CC1CCNCC1.
What is the InChIKey of 4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol?
The InChIKey is ZYQSUYCGLAANTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-8-10(6-9-2-4-16-5-3-9)13(17)12(15)7-11(8)14/h7,9,16-17H,2-6H2,1H3.
What are the key properties of 4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol?
4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol has a molecular weight of 302.19 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol is sourced from PubChem (CID 117486676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).