1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine

C14H22N2O — CID 64926759

IUPAC1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine
SMILESCOc1ccc(C)cc1N1CCNC(C)(C)C1
InChIInChI=1S/C14H22N2O/c1-11-5-6-13(17-4)12(9-11)16-8-7-15-14(2,3)10-16/h5-6,9,15H,7-8,10H2,1-4H3
InChIKeyVUJJHVMLGXKGRW-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.19
Rot. Bonds2

About 1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine

1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine (PubChem CID 64926759) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine
PubChem CID64926759
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine
SMILESCOc1ccc(C)cc1N1CCNC(C)(C)C1
InChIInChI=1S/C14H22N2O/c1-11-5-6-13(17-4)12(9-11)16-8-7-15-14(2,3)10-16/h5-6,9,15H,7-8,10H2,1-4H3
InChIKeyVUJJHVMLGXKGRW-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine (CID 64926759) is 1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine is COc1ccc(C)cc1N1CCNC(C)(C)C1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine?
The InChIKey is VUJJHVMLGXKGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-6-13(17-4)12(9-11)16-8-7-15-14(2,3)10-16/h5-6,9,15H,7-8,10H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine?
1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine has a molecular weight of 234.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3,3-dimethylpiperazine is sourced from PubChem (CID 64926759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).