1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium

C22H25FN2+2 — CID 4744293

IUPAC1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium
SMILESFc1ccc(C[NH+]2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C22H23FN2/c23-22-9-6-18(7-10-22)16-24-11-13-25(14-12-24)17-19-5-8-20-3-1-2-4-21(20)15-19/h1-10,15H,11-14,16-17H2/p+2
InChIKeyMXPMPAJSEQWCSP-UHFFFAOYSA-P
MW336.45 g/mol
LogP1.46
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium

1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium (PubChem CID 4744293) has the molecular formula C22H25FN2+2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium
PubChem CID4744293
Molecular FormulaC22H25FN2+2
Molecular Weight336.45 g/mol
Exact Mass336.20
IUPAC Name1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium
SMILESFc1ccc(C[NH+]2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C22H23FN2/c23-22-9-6-18(7-10-22)16-24-11-13-25(14-12-24)17-19-5-8-20-3-1-2-4-21(20)15-19/h1-10,15H,11-14,16-17H2/p+2
InChIKeyMXPMPAJSEQWCSP-UHFFFAOYSA-P
XLogP1.46
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone
CID 6982152
1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 2162791
1-[(2,4-dimethoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium
CID 4755052
1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine-1,4-diium
CID 7334786
1-(naphthalen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium
CID 6961989
1-[(4-ethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine-1,4-diium
CID 5064867
1-[(4-fluorophenyl)methyl]-4-[(1-methylpyrrol-2-yl)methyl]piperazine-1,4-diium
CID 7120164
N-[(4-fluorophenyl)methyl]-2-naphthalen-2-ylethanamine
CID 174517762
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-naphthalen-2-ylacetamide
CID 2697461
(3S)-1-(naphthalen-2-ylmethyl)piperidin-1-ium-3-carboxamide
CID 6938276
1-benzyl-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine-1,4-diium
CID 7177633

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium (CID 4744293) is 1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium is Fc1ccc(C[NH+]2CC[NH+](Cc3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium?
The InChIKey is MXPMPAJSEQWCSP-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H23FN2/c23-22-9-6-18(7-10-22)16-24-11-13-25(14-12-24)17-19-5-8-20-3-1-2-4-21(20)15-19/h1-10,15H,11-14,16-17H2/p+2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium?
1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium has a molecular weight of 336.45 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine-1,4-diium is sourced from PubChem (CID 4744293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).