1-benzyl-4-methylpiperazine

C12H18N2 — CID 763557

IUPAC1-benzyl-4-methylpiperazine
SMILESCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C12H18N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyMLJOKPBESJWYGL-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.43
Rot. Bonds2

About 1-benzyl-4-methylpiperazine

1-benzyl-4-methylpiperazine (PubChem CID 763557) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-benzyl-4-methylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-methylpiperazine
PubChem CID763557
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-benzyl-4-methylpiperazine
SMILESCN1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C12H18N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKeyMLJOKPBESJWYGL-UHFFFAOYSA-N
XLogP1.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpiperazine?
The IUPAC name of 1-benzyl-4-methylpiperazine (CID 763557) is 1-benzyl-4-methylpiperazine.
What is the SMILES notation for 1-benzyl-4-methylpiperazine?
The canonical SMILES for 1-benzyl-4-methylpiperazine is CN1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-methylpiperazine?
The InChIKey is MLJOKPBESJWYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3.
What are the key properties of 1-benzyl-4-methylpiperazine?
1-benzyl-4-methylpiperazine has a molecular weight of 190.29 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylpiperazine is sourced from PubChem (CID 763557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).