1-(2-fluoro-4-methylphenyl)-3-methyl-3-phenylpiperazine

C18H21FN2 — CID 64924832

IUPAC1-(2-fluoro-4-methylphenyl)-3-methyl-3-phenylpiperazine
SMILESCc1ccc(N2CCNC(C)(c3ccccc3)C2)c(F)c1
InChIInChI=1S/C18H21FN2/c1-14-8-9-17(16(19)12-14)21-11-10-20-18(2,13-21)15-6-4-3-5-7-15/h3-9,12,20H,10-11,13H2,1-2H3
InChIKeyFHMDMBJKHLTMCF-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.46
Rot. Bonds2

About 1-(2-fluoro-4-methylphenyl)-3-methyl-3-phenylpiperazine

1-(2-fluoro-4-methylphenyl)-3-methyl-3-phenylpiperazine (PubChem CID 64924832) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylphenyl)-3-methyl-3-phenylpiperazine.

Molecular Properties

Compound Name1-(2-fluoro-4-methylphenyl)-3-methyl-3-phenylpiperazine
PubChem CID64924832
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-(2-fluoro-4-methylphenyl)-3-methyl-3-phenylpiperazine
SMILESCc1ccc(N2CCNC(C)(c3ccccc3)C2)c(F)c1
InChIInChI=1S/C18H21FN2/c1-14-8-9-17(16(19)12-14)21-11-10-20-18(2,13-21)15-6-4-3-5-7-15/h3-9,12,20H,10-11,13H2,1-2H3
InChIKeyFHMDMBJKHLTMCF-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-methyl-3-phenylpiperazine
CID 64925327
1-(2,6-difluorophenyl)-3-methyl-3-phenylpiperazine
CID 64926018
1-(2-bromophenyl)-3-methyl-3-phenylpiperazine
CID 64925876
1-(3-bromo-4-fluorophenyl)-3-methyl-3-phenylpiperazine
CID 104781762
1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine
CID 64952590
1-(4-chlorophenyl)-3-methyl-3-phenylpiperazine
CID 64924864
1-(2,3-dichlorophenyl)-3-methyl-3-phenylpiperazine
CID 64924892
1-(3,5-dichlorophenyl)-3-methyl-3-phenylpiperazine
CID 64926056
1-(3-chlorophenyl)-3-methyl-3-phenylpiperazine
CID 64923880
1-(3-ethyl-1-methylpyrazol-4-yl)-3-methyl-3-phenylpiperazine
CID 107464911
3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine
CID 64832083
1-(2,4-dimethylphenyl)-3,3-dimethylpiperazine
CID 64925997

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-methyl-3-phenylpiperazine?
The IUPAC name of 1-(2-fluoro-4-methylphenyl)-3-methyl-3-phenylpiperazine (CID 64924832) is 1-(2-fluoro-4-methylphenyl)-3-methyl-3-phenylpiperazine.
What is the SMILES notation for 1-(2-fluoro-4-methylphenyl)-3-methyl-3-phenylpiperazine?
The canonical SMILES for 1-(2-fluoro-4-methylphenyl)-3-methyl-3-phenylpiperazine is Cc1ccc(N2CCNC(C)(c3ccccc3)C2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methylphenyl)-3-methyl-3-phenylpiperazine?
The InChIKey is FHMDMBJKHLTMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-14-8-9-17(16(19)12-14)21-11-10-20-18(2,13-21)15-6-4-3-5-7-15/h3-9,12,20H,10-11,13H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methylphenyl)-3-methyl-3-phenylpiperazine?
1-(2-fluoro-4-methylphenyl)-3-methyl-3-phenylpiperazine has a molecular weight of 284.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylphenyl)-3-methyl-3-phenylpiperazine is sourced from PubChem (CID 64924832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).