1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazin-1-ium

C17H19F2N2+ — CID 6942759

IUPAC1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazin-1-ium
SMILESFc1ccc(F)c(C[NH+]2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C17H18F2N2/c18-15-6-7-17(19)14(12-15)13-20-8-10-21(11-9-20)16-4-2-1-3-5-16/h1-7,12H,8-11,13H2/p+1
InChIKeyVTLHGZGUEUQCEP-UHFFFAOYSA-O
MW289.35 g/mol
LogP1.87
Rot. Bonds3

About 1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazin-1-ium

1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazin-1-ium (PubChem CID 6942759) has the molecular formula C17H19F2N2+ and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazin-1-ium.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazin-1-ium
PubChem CID6942759
Molecular FormulaC17H19F2N2+
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazin-1-ium
SMILESFc1ccc(F)c(C[NH+]2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C17H18F2N2/c18-15-6-7-17(19)14(12-15)13-20-8-10-21(11-9-20)16-4-2-1-3-5-16/h1-7,12H,8-11,13H2/p+1
InChIKeyVTLHGZGUEUQCEP-UHFFFAOYSA-O
XLogP1.87
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,4-difluorophenyl)methyl]-4-(4-methylphenyl)piperazin-1-ium
CID 6942770
1-[(2,4-difluorophenyl)methyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 6939728
1-[(2-chloro-6-fluorophenyl)methyl]-4-phenylpiperazin-1-ium
CID 6943088
4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]benzoate
CID 28801028
1-[(3-chlorophenyl)methyl]-4-(4-fluorophenyl)piperazin-1-ium
CID 6939553
1-[1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
CID 7403675
1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-4-phenylpiperazin-1-ium
CID 7317326
4-nitro-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenolate
CID 7308060
6,7-dimethyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one
CID 7720500
1-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium
CID 7101671
1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-fluorophenyl)piperazin-1-ium
CID 6962721
N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]propanamide
CID 6965904

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazin-1-ium?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazin-1-ium (CID 6942759) is 1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazin-1-ium.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazin-1-ium?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazin-1-ium is Fc1ccc(F)c(C[NH+]2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazin-1-ium?
The InChIKey is VTLHGZGUEUQCEP-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18F2N2/c18-15-6-7-17(19)14(12-15)13-20-8-10-21(11-9-20)16-4-2-1-3-5-16/h1-7,12H,8-11,13H2/p+1.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazin-1-ium?
1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazin-1-ium has a molecular weight of 289.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-4-phenylpiperazin-1-ium is sourced from PubChem (CID 6942759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).