4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]phenol

C17H18BrFN2O — CID 8689938

IUPAC4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3ccc(Br)cc3F)CC2)cc1
InChIInChI=1S/C17H18BrFN2O/c18-14-2-1-13(17(19)11-14)12-20-7-9-21(10-8-20)15-3-5-16(22)6-4-15/h1-6,11,22H,7-10,12H2
InChIKeyLGBBZDYOBBDWPU-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.62
Rot. Bonds3

About 4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]phenol

4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]phenol (PubChem CID 8689938) has the molecular formula C17H18BrFN2O and a molecular weight of 365.25 g/mol. Its IUPAC name is 4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]phenol
PubChem CID8689938
Molecular FormulaC17H18BrFN2O
Molecular Weight365.25 g/mol
Exact Mass364.06
IUPAC Name4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(Cc3ccc(Br)cc3F)CC2)cc1
InChIInChI=1S/C17H18BrFN2O/c18-14-2-1-13(17(19)11-14)12-20-7-9-21(10-8-20)15-3-5-16(22)6-4-15/h1-6,11,22H,7-10,12H2
InChIKeyLGBBZDYOBBDWPU-UHFFFAOYSA-N
XLogP3.62
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-2-fluorophenyl)methyl]-4-tert-butylpiperazine
CID 61057200
1-[(4-bromo-2-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907180
(4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol
CID 159320110
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine
CID 43438739
1-[(4-bromo-2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 55354194
[4-[[4-(4-bromo-2-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methanol
CID 166679156
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
4-[4-[(4-bromo-2-chlorophenyl)methyl]piperazin-1-yl]benzamide
CID 86969627
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 60644953
1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine
CID 65245079
2-[[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]methyl]-3-hydroxy-6-(piperidin-1-ylmethyl)pyran-4-one
CID 139572831
3-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylquinoxalin-2-amine
CID 90039147

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]phenol (CID 8689938) is 4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(Cc3ccc(Br)cc3F)CC2)cc1.
What is the InChIKey of 4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]phenol?
The InChIKey is LGBBZDYOBBDWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O/c18-14-2-1-13(17(19)11-14)12-20-7-9-21(10-8-20)15-3-5-16(22)6-4-15/h1-6,11,22H,7-10,12H2.
What are the key properties of 4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]phenol?
4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]phenol has a molecular weight of 365.25 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 8689938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).