1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine

C18H21FN2 — CID 64936803

IUPAC1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine
SMILESCc1c(F)cccc1N1CC(C)NCC1c1ccccc1
InChIInChI=1S/C18H21FN2/c1-13-12-21(17-10-6-9-16(19)14(17)2)18(11-20-13)15-7-4-3-5-8-15/h3-10,13,18,20H,11-12H2,1-2H3
InChIKeyGZXNFNCFXBNJRE-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.67
Rot. Bonds2

About 1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine

1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine (PubChem CID 64936803) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine
PubChem CID64936803
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine
SMILESCc1c(F)cccc1N1CC(C)NCC1c1ccccc1
InChIInChI=1S/C18H21FN2/c1-13-12-21(17-10-6-9-16(19)14(17)2)18(11-20-13)15-7-4-3-5-8-15/h3-10,13,18,20H,11-12H2,1-2H3
InChIKeyGZXNFNCFXBNJRE-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine?
The IUPAC name of 1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine (CID 64936803) is 1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine.
What is the SMILES notation for 1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine?
The canonical SMILES for 1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine is Cc1c(F)cccc1N1CC(C)NCC1c1ccccc1.
What is the InChIKey of 1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine?
The InChIKey is GZXNFNCFXBNJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-13-12-21(17-10-6-9-16(19)14(17)2)18(11-20-13)15-7-4-3-5-8-15/h3-10,13,18,20H,11-12H2,1-2H3.
What are the key properties of 1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine?
1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine has a molecular weight of 284.38 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-methylphenyl)-5-methyl-2-phenylpiperazine is sourced from PubChem (CID 64936803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).