1-methyl-4-[(3-methylphenyl)methyl]piperazine

C13H20N2 — CID 765537

IUPAC1-methyl-4-[(3-methylphenyl)methyl]piperazine
SMILESCc1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C13H20N2/c1-12-4-3-5-13(10-12)11-15-8-6-14(2)7-9-15/h3-5,10H,6-9,11H2,1-2H3
InChIKeyGPUNOVJFCWZTGV-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.74
Rot. Bonds2

About 1-methyl-4-[(3-methylphenyl)methyl]piperazine

1-methyl-4-[(3-methylphenyl)methyl]piperazine (PubChem CID 765537) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-methyl-4-[(3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(3-methylphenyl)methyl]piperazine
PubChem CID765537
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-methyl-4-[(3-methylphenyl)methyl]piperazine
SMILESCc1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C13H20N2/c1-12-4-3-5-13(10-12)11-15-8-6-14(2)7-9-15/h3-5,10H,6-9,11H2,1-2H3
InChIKeyGPUNOVJFCWZTGV-UHFFFAOYSA-N
XLogP1.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3-methylphenyl)methyl]piperazine?
The IUPAC name of 1-methyl-4-[(3-methylphenyl)methyl]piperazine (CID 765537) is 1-methyl-4-[(3-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(3-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-methyl-4-[(3-methylphenyl)methyl]piperazine is Cc1cccc(CN2CCN(C)CC2)c1.
What is the InChIKey of 1-methyl-4-[(3-methylphenyl)methyl]piperazine?
The InChIKey is GPUNOVJFCWZTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-12-4-3-5-13(10-12)11-15-8-6-14(2)7-9-15/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 1-methyl-4-[(3-methylphenyl)methyl]piperazine?
1-methyl-4-[(3-methylphenyl)methyl]piperazine has a molecular weight of 204.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3-methylphenyl)methyl]piperazine is sourced from PubChem (CID 765537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).