1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine

C17H19FN2 — CID 155276373

IUPAC1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine
SMILESCc1ccc(N2CCN(c3ccccc3)CC2)cc1F
InChIInChI=1S/C17H19FN2/c1-14-7-8-16(13-17(14)18)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyMKPZASNRPGUVNC-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.46
Rot. Bonds2

About 1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine

1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine (PubChem CID 155276373) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine
PubChem CID155276373
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine
SMILESCc1ccc(N2CCN(c3ccccc3)CC2)cc1F
InChIInChI=1S/C17H19FN2/c1-14-7-8-16(13-17(14)18)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
InChIKeyMKPZASNRPGUVNC-UHFFFAOYSA-N
XLogP3.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-fluoro-4-methylphenyl)-1,3-diazinane
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1-fluoro-4-phenylpiperazine
CID 23450926
4-[1-(3-fluoro-4-methylphenyl)piperidin-4-yl]thiomorpholine
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1-(3-methyl-4-nitrophenyl)-4-phenylpiperazine
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[1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanol
CID 64865831
1-(3-fluoro-4-phenylphenyl)piperidine
CID 126496888
1-(3,4-dimethylphenyl)-4-methylpiperazine
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1-(4,6-dimethyl-2-pyridinyl)-4-phenylpiperazine
CID 141329163
4-fluoro-N-(3-fluoro-4-methylphenyl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 4089871
3-[4-(4-fluorophenyl)piperazin-1-yl]aniline
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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine (CID 155276373) is 1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine is Cc1ccc(N2CCN(c3ccccc3)CC2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine?
The InChIKey is MKPZASNRPGUVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-14-7-8-16(13-17(14)18)20-11-9-19(10-12-20)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine?
1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine has a molecular weight of 270.35 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-4-phenylpiperazine is sourced from PubChem (CID 155276373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).