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

C19H23FN2 — CID 829328

IUPAC1-[(3-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine
SMILESCc1ccccc1CN1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H23FN2/c1-16-5-2-3-7-18(16)15-22-11-9-21(10-12-22)14-17-6-4-8-19(20)13-17/h2-8,13H,9-12,14-15H2,1H3
InChIKeyINLHJNNMWIKBSI-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.45
Rot. Bonds4

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

1-[(3-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine (PubChem CID 829328) has the molecular formula C19H23FN2 and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine
PubChem CID829328
Molecular FormulaC19H23FN2
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name1-[(3-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine
SMILESCc1ccccc1CN1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H23FN2/c1-16-5-2-3-7-18(16)15-22-11-9-21(10-12-22)14-17-6-4-8-19(20)13-17/h2-8,13H,9-12,14-15H2,1H3
InChIKeyINLHJNNMWIKBSI-UHFFFAOYSA-N
XLogP3.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine (CID 829328) is 1-[(3-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine is Cc1ccccc1CN1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine?
The InChIKey is INLHJNNMWIKBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2/c1-16-5-2-3-7-18(16)15-22-11-9-21(10-12-22)14-17-6-4-8-19(20)13-17/h2-8,13H,9-12,14-15H2,1H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine?
1-[(3-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine has a molecular weight of 298.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 829328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).