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

C18H19BrF2N2O — CID 166679156

IUPAC[4-[[4-(4-bromo-2-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methanol
SMILESOCc1ccc(CN2CCN(c3ccc(Br)cc3F)CC2)cc1F
InChIInChI=1S/C18H19BrF2N2O/c19-15-3-4-18(17(21)10-15)23-7-5-22(6-8-23)11-13-1-2-14(12-24)16(20)9-13/h1-4,9-10,24H,5-8,11-12H2
InChIKeyBDDURPLEJXMUQG-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.54
Rot. Bonds4

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

[4-[[4-(4-bromo-2-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methanol (PubChem CID 166679156) has the molecular formula C18H19BrF2N2O and a molecular weight of 397.26 g/mol. Its IUPAC name is [4-[[4-(4-bromo-2-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[[4-(4-bromo-2-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methanol
PubChem CID166679156
Molecular FormulaC18H19BrF2N2O
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC Name[4-[[4-(4-bromo-2-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methanol
SMILESOCc1ccc(CN2CCN(c3ccc(Br)cc3F)CC2)cc1F
InChIInChI=1S/C18H19BrF2N2O/c19-15-3-4-18(17(21)10-15)23-7-5-22(6-8-23)11-13-1-2-14(12-24)16(20)9-13/h1-4,9-10,24H,5-8,11-12H2
InChIKeyBDDURPLEJXMUQG-UHFFFAOYSA-N
XLogP3.54
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4-bromo-2-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methanol?
The IUPAC name of [4-[[4-(4-bromo-2-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methanol (CID 166679156) is [4-[[4-(4-bromo-2-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methanol.
What is the SMILES notation for [4-[[4-(4-bromo-2-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methanol?
The canonical SMILES for [4-[[4-(4-bromo-2-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methanol is OCc1ccc(CN2CCN(c3ccc(Br)cc3F)CC2)cc1F.
What is the InChIKey of [4-[[4-(4-bromo-2-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methanol?
The InChIKey is BDDURPLEJXMUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrF2N2O/c19-15-3-4-18(17(21)10-15)23-7-5-22(6-8-23)11-13-1-2-14(12-24)16(20)9-13/h1-4,9-10,24H,5-8,11-12H2.
What are the key properties of [4-[[4-(4-bromo-2-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methanol?
[4-[[4-(4-bromo-2-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methanol has a molecular weight of 397.26 g/mol, XLogP of 3.54, 4 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)piperazin-1-yl]methyl]-2-fluorophenyl]methanol is sourced from PubChem (CID 166679156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).