4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol

C21H22FN2O+ — CID 2475720

IUPAC4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol
SMILESOc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)c2ccccc12
InChIInChI=1S/C21H21FN2O/c22-19-7-3-4-8-20(19)24-13-11-23(12-14-24)15-16-9-10-21(25)18-6-2-1-5-17(16)18/h1-10,25H,11-15H2/p+1
InChIKeyXFFFUQRTDSJPFN-UHFFFAOYSA-O
MW337.42 g/mol
LogP2.59
Rot. Bonds3

About 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol

4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol (PubChem CID 2475720) has the molecular formula C21H22FN2O+ and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol
PubChem CID2475720
Molecular FormulaC21H22FN2O+
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol
SMILESOc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)c2ccccc12
InChIInChI=1S/C21H21FN2O/c22-19-7-3-4-8-20(19)24-13-11-23(12-14-24)15-16-9-10-21(25)18-6-2-1-5-17(16)18/h1-10,25H,11-15H2/p+1
InChIKeyXFFFUQRTDSJPFN-UHFFFAOYSA-O
XLogP2.59
TPSA27.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,4-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 6939728
1-(2-fluorophenyl)-4-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-4-ium
CID 6944337
1-(2-fluorophenyl)-4-[(4-phenylphenyl)methyl]piperazin-4-ium
CID 7047568
1-(2-fluorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium
CID 2173520
2,6-ditert-butyl-4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenol
CID 7047458
1-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenyl)piperazin-1-ium
CID 6944085
4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzoate
CID 7013726
4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-methylfuran-2-carboxylate
CID 42185100
1-(2-fluorophenyl)-4-[(6-nitro-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium
CID 6962469
2-chloro-5-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3-thiazole
CID 6986607
2-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenol
CID 8528521
4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6,8-dimethylchromen-2-one
CID 7720349

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol?
The IUPAC name of 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol (CID 2475720) is 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol.
What is the SMILES notation for 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol?
The canonical SMILES for 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol is Oc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)c2ccccc12.
What is the InChIKey of 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol?
The InChIKey is XFFFUQRTDSJPFN-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H21FN2O/c22-19-7-3-4-8-20(19)24-13-11-23(12-14-24)15-16-9-10-21(25)18-6-2-1-5-17(16)18/h1-10,25H,11-15H2/p+1.
What are the key properties of 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol?
4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol has a molecular weight of 337.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]naphthalen-1-ol is sourced from PubChem (CID 2475720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).