1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine

C18H22N2O — CID 64952389

IUPAC1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine
SMILESCOc1ccc(N2CCNC(c3ccccc3)C2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-14-12-16(21-2)8-9-18(14)20-11-10-19-17(13-20)15-6-4-3-5-7-15/h3-9,12,17,19H,10-11,13H2,1-2H3
InChIKeyAINKWWCMGIMAQG-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.15
Rot. Bonds3

About 1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine

1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine (PubChem CID 64952389) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine
PubChem CID64952389
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine
SMILESCOc1ccc(N2CCNC(c3ccccc3)C2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-14-12-16(21-2)8-9-18(14)20-11-10-19-17(13-20)15-6-4-3-5-7-15/h3-9,12,17,19H,10-11,13H2,1-2H3
InChIKeyAINKWWCMGIMAQG-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine (CID 64952389) is 1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine is COc1ccc(N2CCNC(c3ccccc3)C2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine?
The InChIKey is AINKWWCMGIMAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-12-16(21-2)8-9-18(14)20-11-10-19-17(13-20)15-6-4-3-5-7-15/h3-9,12,17,19H,10-11,13H2,1-2H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine?
1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine has a molecular weight of 282.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-3-phenylpiperazine is sourced from PubChem (CID 64952389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).