1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine

C15H24N2O — CID 65463120

IUPAC1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine
SMILESCOc1ccc(CN2CCNCC2(C)C)cc1C
InChIInChI=1S/C15H24N2O/c1-12-9-13(5-6-14(12)18-4)10-17-8-7-16-11-15(17,2)3/h5-6,9,16H,7-8,10-11H2,1-4H3
InChIKeyYQUOCQPWQPXUCY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.19
Rot. Bonds3

About 1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine

1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine (PubChem CID 65463120) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine
PubChem CID65463120
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine
SMILESCOc1ccc(CN2CCNCC2(C)C)cc1C
InChIInChI=1S/C15H24N2O/c1-12-9-13(5-6-14(12)18-4)10-17-8-7-16-11-15(17,2)3/h5-6,9,16H,7-8,10-11H2,1-4H3
InChIKeyYQUOCQPWQPXUCY-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxy-3-methylphenyl)ethyl]-2,2-dimethylpiperazine
CID 82302915
2,2-dimethyl-1-[(4-methylphenyl)methyl]piperazine
CID 63596118
1-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 81154666
1-[(4-methoxy-3-methylphenyl)methyl]-1,4-diazepane
CID 55039426
6-[(2,2-dimethylpiperazin-1-yl)methyl]-2-methylquinoline
CID 105379001
1-[(2-methoxynaphthalen-1-yl)methyl]-2,2-dimethylpiperazine
CID 65461295
6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64844626
2,2-dimethyl-1-[(4-phenylphenyl)methyl]piperazine
CID 65462302
5-[(4-methoxy-3-methylphenyl)methyl]-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66208208
(3S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-methylpiperazine
CID 95450816
1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933207
1-[(3,4-dimethoxyphenyl)methyl]-2,2,5,5-tetramethylpiperazine
CID 64840494

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine?
The IUPAC name of 1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine (CID 65463120) is 1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine?
The canonical SMILES for 1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine is COc1ccc(CN2CCNCC2(C)C)cc1C.
What is the InChIKey of 1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine?
The InChIKey is YQUOCQPWQPXUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-9-13(5-6-14(12)18-4)10-17-8-7-16-11-15(17,2)3/h5-6,9,16H,7-8,10-11H2,1-4H3.
What are the key properties of 1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine?
1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine has a molecular weight of 248.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 65463120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).