3-benzyl-1-[(2-methylphenyl)methyl]piperazine

C19H24N2 — CID 64834107

IUPAC3-benzyl-1-[(2-methylphenyl)methyl]piperazine
SMILESCc1ccccc1CN1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C19H24N2/c1-16-7-5-6-10-18(16)14-21-12-11-20-19(15-21)13-17-8-3-2-4-9-17/h2-10,19-20H,11-15H2,1H3
InChIKeyQGKUZUQIKPCGAJ-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.01
Rot. Bonds4

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

3-benzyl-1-[(2-methylphenyl)methyl]piperazine (PubChem CID 64834107) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-benzyl-1-[(2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name3-benzyl-1-[(2-methylphenyl)methyl]piperazine
PubChem CID64834107
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name3-benzyl-1-[(2-methylphenyl)methyl]piperazine
SMILESCc1ccccc1CN1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C19H24N2/c1-16-7-5-6-10-18(16)14-21-12-11-20-19(15-21)13-17-8-3-2-4-9-17/h2-10,19-20H,11-15H2,1H3
InChIKeyQGKUZUQIKPCGAJ-UHFFFAOYSA-N
XLogP3.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[[(3S)-3-benzylpiperazin-1-yl]methyl]benzoate;hydrochloride
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3-benzyl-1-(2-methylpropyl)piperazine
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3-benzyl-1-(2-phenylethyl)piperazine
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CID 106408561
3-benzyl-1-[(4-methylphenyl)methyl]-1,4-diazepane
CID 82251351
4-[[(2R)-4-benzylpiperazin-2-yl]methyl]benzonitrile
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3-benzyl-1-(furan-2-ylmethyl)piperazine
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4-[(3-benzylpiperazin-1-yl)methyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[(2-methylphenyl)methyl]piperazine?
The IUPAC name of 3-benzyl-1-[(2-methylphenyl)methyl]piperazine (CID 64834107) is 3-benzyl-1-[(2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 3-benzyl-1-[(2-methylphenyl)methyl]piperazine?
The canonical SMILES for 3-benzyl-1-[(2-methylphenyl)methyl]piperazine is Cc1ccccc1CN1CCNC(Cc2ccccc2)C1.
What is the InChIKey of 3-benzyl-1-[(2-methylphenyl)methyl]piperazine?
The InChIKey is QGKUZUQIKPCGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-16-7-5-6-10-18(16)14-21-12-11-20-19(15-21)13-17-8-3-2-4-9-17/h2-10,19-20H,11-15H2,1H3.
What are the key properties of 3-benzyl-1-[(2-methylphenyl)methyl]piperazine?
3-benzyl-1-[(2-methylphenyl)methyl]piperazine has a molecular weight of 280.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[(2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 64834107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).