6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol

C12H14BrF2NO — CID 117491239

IUPAC6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol
SMILESOc1c(Br)cc(F)c(F)c1CC1CCNCC1
InChIInChI=1S/C12H14BrF2NO/c13-9-6-10(14)11(15)8(12(9)17)5-7-1-3-16-4-2-7/h6-7,16-17H,1-5H2
InChIKeyCVJYZZRJRCKISW-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.97
Rot. Bonds2

About 6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol

6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol (PubChem CID 117491239) has the molecular formula C12H14BrF2NO and a molecular weight of 306.15 g/mol. Its IUPAC name is 6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol.

Molecular Properties

Compound Name6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol
PubChem CID117491239
Molecular FormulaC12H14BrF2NO
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC Name6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol
SMILESOc1c(Br)cc(F)c(F)c1CC1CCNCC1
InChIInChI=1S/C12H14BrF2NO/c13-9-6-10(14)11(15)8(12(9)17)5-7-1-3-16-4-2-7/h6-7,16-17H,1-5H2
InChIKeyCVJYZZRJRCKISW-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol
CID 117364513
4-bromo-6-fluoro-3-methyl-2-(piperidin-4-ylmethyl)phenol
CID 117486676
4-chloro-3,6-difluoro-2-(piperidin-4-ylmethyl)phenol
CID 117409129
4-[(3-bromo-2,6-difluoro-5-methylphenyl)methyl]piperidine
CID 117489284
2,3,4-trifluoro-6-(piperidin-4-ylmethyl)phenol
CID 117364515
4-[(3-chloro-2,5,6-trifluorophenyl)methyl]piperidine
CID 117414030
4-[(6-bromo-2-fluoro-3-methylphenyl)methyl]piperidine
CID 84813696
4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol
CID 84810264
4-bromo-3,5-difluoro-2-(pyrrolidin-3-ylmethyl)phenol
CID 84814975
3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84789130
4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine
CID 117491842
4-bromo-3-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84812931

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol?
The IUPAC name of 6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol (CID 117491239) is 6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol.
What is the SMILES notation for 6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol?
The canonical SMILES for 6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol is Oc1c(Br)cc(F)c(F)c1CC1CCNCC1.
What is the InChIKey of 6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol?
The InChIKey is CVJYZZRJRCKISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO/c13-9-6-10(14)11(15)8(12(9)17)5-7-1-3-16-4-2-7/h6-7,16-17H,1-5H2.
What are the key properties of 6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol?
6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol has a molecular weight of 306.15 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol is sourced from PubChem (CID 117491239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).