1-benzyl-4-[(4-methylphenyl)methyl]piperazine

C19H24N2 — CID 792502

IUPAC1-benzyl-4-[(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2/c1-17-7-9-19(10-8-17)16-21-13-11-20(12-14-21)15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
InChIKeyUZIYLIRBEDSOPG-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.31
Rot. Bonds4

About 1-benzyl-4-[(4-methylphenyl)methyl]piperazine

1-benzyl-4-[(4-methylphenyl)methyl]piperazine (PubChem CID 792502) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-benzyl-4-[(4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(4-methylphenyl)methyl]piperazine
PubChem CID792502
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-benzyl-4-[(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H24N2/c1-17-7-9-19(10-8-17)16-21-13-11-20(12-14-21)15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
InChIKeyUZIYLIRBEDSOPG-UHFFFAOYSA-N
XLogP3.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Flunarizine
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Phencyclidine Hydrochloride
CID 9795678
1-Benzylpiperazine
CID 75994
Cyclizine Hydrochloride
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Benzhydrylpiperazine
CID 70048
Benzathine
CID 8793
Benzfetamine
CID 2341
1,4-Dibenzylpiperazine
CID 200601

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(4-methylphenyl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(4-methylphenyl)methyl]piperazine (CID 792502) is 1-benzyl-4-[(4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(4-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(4-methylphenyl)methyl]piperazine is Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[(4-methylphenyl)methyl]piperazine?
The InChIKey is UZIYLIRBEDSOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-17-7-9-19(10-8-17)16-21-13-11-20(12-14-21)15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3.
What are the key properties of 1-benzyl-4-[(4-methylphenyl)methyl]piperazine?
1-benzyl-4-[(4-methylphenyl)methyl]piperazine has a molecular weight of 280.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 792502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).