4-(4-benzylpiperazin-1-yl)-2-fluorophenol

C17H19FN2O — CID 46737218

IUPAC4-(4-benzylpiperazin-1-yl)-2-fluorophenol
SMILESOc1ccc(N2CCN(Cc3ccccc3)CC2)cc1F
InChIInChI=1S/C17H19FN2O/c18-16-12-15(6-7-17(16)21)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12,21H,8-11,13H2
InChIKeyIWHXCVNWMFVYLK-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.85
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-2-fluorophenol

4-(4-benzylpiperazin-1-yl)-2-fluorophenol (PubChem CID 46737218) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-2-fluorophenol
PubChem CID46737218
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name4-(4-benzylpiperazin-1-yl)-2-fluorophenol
SMILESOc1ccc(N2CCN(Cc3ccccc3)CC2)cc1F
InChIInChI=1S/C17H19FN2O/c18-16-12-15(6-7-17(16)21)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12,21H,8-11,13H2
InChIKeyIWHXCVNWMFVYLK-UHFFFAOYSA-N
XLogP2.85
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol
CID 118737764
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
CID 2838458
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-(4-bromo-3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 174687626
1-benzyl-4-[4-(bromomethyl)phenyl]piperazine
CID 107079129
1-benzyl-4-(2,4-difluorophenyl)piperazine
CID 110454865
1-benzyl-4-(9H-fluoren-2-yl)piperazine
CID 1201700
1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050
4-(azepan-1-ylmethyl)-2-fluorophenol
CID 107693924
bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)
CID 16687390
1-benzyl-4-(2,3,4-trifluorophenyl)piperazine
CID 110452591

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-fluorophenol?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-2-fluorophenol (CID 46737218) is 4-(4-benzylpiperazin-1-yl)-2-fluorophenol.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-2-fluorophenol?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-2-fluorophenol is Oc1ccc(N2CCN(Cc3ccccc3)CC2)cc1F.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-2-fluorophenol?
The InChIKey is IWHXCVNWMFVYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c18-16-12-15(6-7-17(16)21)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12,21H,8-11,13H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-2-fluorophenol?
4-(4-benzylpiperazin-1-yl)-2-fluorophenol has a molecular weight of 286.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-2-fluorophenol is sourced from PubChem (CID 46737218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).