2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpiperazine

C15H24N2O — CID 116856365

IUPAC2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpiperazine
SMILESCOc1c(C)c(C)cc(C)c1C1(C)CNCCN1
InChIInChI=1S/C15H24N2O/c1-10-8-11(2)13(14(18-5)12(10)3)15(4)9-16-6-7-17-15/h8,16-17H,6-7,9H2,1-5H3
InChIKeyPFHRBLVMBNQEPZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.03
Rot. Bonds2

About 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpiperazine

2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpiperazine (PubChem CID 116856365) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpiperazine
PubChem CID116856365
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpiperazine
SMILESCOc1c(C)c(C)cc(C)c1C1(C)CNCCN1
InChIInChI=1S/C15H24N2O/c1-10-8-11(2)13(14(18-5)12(10)3)15(4)9-16-6-7-17-15/h8,16-17H,6-7,9H2,1-5H3
InChIKeyPFHRBLVMBNQEPZ-UHFFFAOYSA-N
XLogP2.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpiperazine?
The IUPAC name of 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpiperazine (CID 116856365) is 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpiperazine.
What is the SMILES notation for 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpiperazine?
The canonical SMILES for 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpiperazine is COc1c(C)c(C)cc(C)c1C1(C)CNCCN1.
What is the InChIKey of 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpiperazine?
The InChIKey is PFHRBLVMBNQEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-8-11(2)13(14(18-5)12(10)3)15(4)9-16-6-7-17-15/h8,16-17H,6-7,9H2,1-5H3.
What are the key properties of 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpiperazine?
2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpiperazine has a molecular weight of 248.37 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,4,6-trimethylphenyl)-2-methylpiperazine is sourced from PubChem (CID 116856365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).