4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine

C19H23FN2 — CID 22199602

IUPAC4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(Cc3cccc(F)c3)CC2C)cc1
InChIInChI=1S/C19H23FN2/c1-15-6-8-19(9-7-15)22-11-10-21(13-16(22)2)14-17-4-3-5-18(20)12-17/h3-9,12,16H,10-11,13-14H2,1-2H3
InChIKeyNIQBEJFDTGLDIC-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.84
Rot. Bonds3

About 4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine

4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine (PubChem CID 22199602) has the molecular formula C19H23FN2 and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine
PubChem CID22199602
Molecular FormulaC19H23FN2
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(Cc3cccc(F)c3)CC2C)cc1
InChIInChI=1S/C19H23FN2/c1-15-6-8-19(9-7-15)22-11-10-21(13-16(22)2)14-17-4-3-5-18(20)12-17/h3-9,12,16H,10-11,13-14H2,1-2H3
InChIKeyNIQBEJFDTGLDIC-UHFFFAOYSA-N
XLogP3.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine (CID 22199602) is 4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine is Cc1ccc(N2CCN(Cc3cccc(F)c3)CC2C)cc1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine?
The InChIKey is NIQBEJFDTGLDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2/c1-15-6-8-19(9-7-15)22-11-10-21(13-16(22)2)14-17-4-3-5-18(20)12-17/h3-9,12,16H,10-11,13-14H2,1-2H3.
What are the key properties of 4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine?
4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine has a molecular weight of 298.41 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine is sourced from PubChem (CID 22199602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).