1-benzyl-2-methylpiperazine

C12H18N2 — CID 10442525

IUPAC1-benzyl-2-methylpiperazine
SMILESCC1CNCCN1Cc1ccccc1
InChIInChI=1S/C12H18N2/c1-11-9-13-7-8-14(11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyJGEODYUVEMNPPY-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.48
Rot. Bonds2

About 1-benzyl-2-methylpiperazine

1-benzyl-2-methylpiperazine (PubChem CID 10442525) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-benzyl-2-methylpiperazine.

Molecular Properties

Compound Name1-benzyl-2-methylpiperazine
PubChem CID10442525
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-benzyl-2-methylpiperazine
SMILESCC1CNCCN1Cc1ccccc1
InChIInChI=1S/C12H18N2/c1-11-9-13-7-8-14(11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3
InChIKeyJGEODYUVEMNPPY-UHFFFAOYSA-N
XLogP1.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methylpiperazine?
The IUPAC name of 1-benzyl-2-methylpiperazine (CID 10442525) is 1-benzyl-2-methylpiperazine.
What is the SMILES notation for 1-benzyl-2-methylpiperazine?
The canonical SMILES for 1-benzyl-2-methylpiperazine is CC1CNCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methylpiperazine?
The InChIKey is JGEODYUVEMNPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-11-9-13-7-8-14(11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3.
What are the key properties of 1-benzyl-2-methylpiperazine?
1-benzyl-2-methylpiperazine has a molecular weight of 190.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methylpiperazine is sourced from PubChem (CID 10442525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).