2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine

C15H24N2O — CID 116928060

IUPAC2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine
SMILESCOc1cc(C)cc(C)c1CC1CNCCN1C
InChIInChI=1S/C15H24N2O/c1-11-7-12(2)14(15(8-11)18-4)9-13-10-16-5-6-17(13)3/h7-8,13,16H,5-6,9-10H2,1-4H3
InChIKeyLBJCTVJFFWZKFT-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.76
Rot. Bonds3

About 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine

2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine (PubChem CID 116928060) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine.

Molecular Properties

Compound Name2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine
PubChem CID116928060
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine
SMILESCOc1cc(C)cc(C)c1CC1CNCCN1C
InChIInChI=1S/C15H24N2O/c1-11-7-12(2)14(15(8-11)18-4)9-13-10-16-5-6-17(13)3/h7-8,13,16H,5-6,9-10H2,1-4H3
InChIKeyLBJCTVJFFWZKFT-UHFFFAOYSA-N
XLogP1.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82480406
3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine
CID 106681186
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1,4-diazepane
CID 82485738
(2R)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 95442733
(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
CID 154574727
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115119043
2-bromo-1,6-dimethyl-3-[(1-methylpiperazin-2-yl)methyl]indole
CID 84646607
1-methyl-2-[(2,3,4-trimethylphenyl)methyl]piperazine
CID 116928083
2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine
CID 82083204
3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine
CID 116928311
4-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928492
2-propyl-1-[(2,4,6-trimethylphenyl)methyl]piperazine
CID 64832933

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine?
The IUPAC name of 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine (CID 116928060) is 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine.
What is the SMILES notation for 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine?
The canonical SMILES for 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine is COc1cc(C)cc(C)c1CC1CNCCN1C.
What is the InChIKey of 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine?
The InChIKey is LBJCTVJFFWZKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-7-12(2)14(15(8-11)18-4)9-13-10-16-5-6-17(13)3/h7-8,13,16H,5-6,9-10H2,1-4H3.
What are the key properties of 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine?
2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine has a molecular weight of 248.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-methylpiperazine is sourced from PubChem (CID 116928060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).