1-(4-fluoro-2-iodophenyl)-2-methyl-5-phenylpiperazine

C17H18FIN2 — CID 79760884

IUPAC1-(4-fluoro-2-iodophenyl)-2-methyl-5-phenylpiperazine
SMILESCC1CNC(c2ccccc2)CN1c1ccc(F)cc1I
InChIInChI=1S/C17H18FIN2/c1-12-10-20-16(13-5-3-2-4-6-13)11-21(12)17-8-7-14(18)9-15(17)19/h2-9,12,16,20H,10-11H2,1H3
InChIKeyCZLWKVKSTHCRGZ-UHFFFAOYSA-N
MW396.25 g/mol
LogP3.97
Rot. Bonds2

About 1-(4-fluoro-2-iodophenyl)-2-methyl-5-phenylpiperazine

1-(4-fluoro-2-iodophenyl)-2-methyl-5-phenylpiperazine (PubChem CID 79760884) has the molecular formula C17H18FIN2 and a molecular weight of 396.25 g/mol. Its IUPAC name is 1-(4-fluoro-2-iodophenyl)-2-methyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-(4-fluoro-2-iodophenyl)-2-methyl-5-phenylpiperazine
PubChem CID79760884
Molecular FormulaC17H18FIN2
Molecular Weight396.25 g/mol
Exact Mass396.05
IUPAC Name1-(4-fluoro-2-iodophenyl)-2-methyl-5-phenylpiperazine
SMILESCC1CNC(c2ccccc2)CN1c1ccc(F)cc1I
InChIInChI=1S/C17H18FIN2/c1-12-10-20-16(13-5-3-2-4-6-13)11-21(12)17-8-7-14(18)9-15(17)19/h2-9,12,16,20H,10-11H2,1H3
InChIKeyCZLWKVKSTHCRGZ-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-iodophenyl)-2-methyl-5-phenylpiperazine?
The IUPAC name of 1-(4-fluoro-2-iodophenyl)-2-methyl-5-phenylpiperazine (CID 79760884) is 1-(4-fluoro-2-iodophenyl)-2-methyl-5-phenylpiperazine.
What is the SMILES notation for 1-(4-fluoro-2-iodophenyl)-2-methyl-5-phenylpiperazine?
The canonical SMILES for 1-(4-fluoro-2-iodophenyl)-2-methyl-5-phenylpiperazine is CC1CNC(c2ccccc2)CN1c1ccc(F)cc1I.
What is the InChIKey of 1-(4-fluoro-2-iodophenyl)-2-methyl-5-phenylpiperazine?
The InChIKey is CZLWKVKSTHCRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FIN2/c1-12-10-20-16(13-5-3-2-4-6-13)11-21(12)17-8-7-14(18)9-15(17)19/h2-9,12,16,20H,10-11H2,1H3.
What are the key properties of 1-(4-fluoro-2-iodophenyl)-2-methyl-5-phenylpiperazine?
1-(4-fluoro-2-iodophenyl)-2-methyl-5-phenylpiperazine has a molecular weight of 396.25 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-iodophenyl)-2-methyl-5-phenylpiperazine is sourced from PubChem (CID 79760884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).