1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine

C19H23FN2 — CID 174368347

IUPAC1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESCc1cc(C)cc(CN2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H23FN2/c1-15-11-16(2)13-17(12-15)14-21-7-9-22(10-8-21)19-5-3-18(20)4-6-19/h3-6,11-13H,7-10,14H2,1-2H3
InChIKeyXAZCDXSPRPSKPO-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.76
Rot. Bonds3

About 1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine

1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine (PubChem CID 174368347) has the molecular formula C19H23FN2 and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
PubChem CID174368347
Molecular FormulaC19H23FN2
Molecular Weight298.41 g/mol
Exact Mass298.18
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESCc1cc(C)cc(CN2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H23FN2/c1-15-11-16(2)13-17(12-15)14-21-7-9-22(10-8-21)19-5-3-18(20)4-6-19/h3-6,11-13H,7-10,14H2,1-2H3
InChIKeyXAZCDXSPRPSKPO-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 87015648
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
4-[[4-(4-methylphenyl)piperazin-1-yl]methyl]aniline
CID 21331844
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465206
1-(4-bromo-3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 174687626
3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]aniline
CID 135126748
1-[(3,5-dimethylphenyl)methyl]pyrrolidine
CID 90278828
1,7-bis[(3,5-difluorophenyl)methyl]-4,10-bis[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 139159419
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42850972
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-(4-methylphenyl)-4-(1H-pyrrol-3-ylmethyl)piperazine
CID 19958485
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methylimidazo[1,2-a]pyridine
CID 19367156

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine (CID 174368347) is 1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine is Cc1cc(C)cc(CN2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is XAZCDXSPRPSKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2/c1-15-11-16(2)13-17(12-15)14-21-7-9-22(10-8-21)19-5-3-18(20)4-6-19/h3-6,11-13H,7-10,14H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine?
1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 298.41 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 174368347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).