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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Related Compounds

1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine
CID 64952586
1-(2-methylsulfanylphenyl)-3-phenylpiperazine
CID 107646407
1-(5-chloro-2-fluorophenyl)-3-phenylpiperazine
CID 64924315
2,6-dimethoxy-4-[3-(3-methoxyphenyl)piperazin-1-yl]quinazoline
CID 141195742
1-(4-methoxy-2-methylphenyl)-N-methylpiperidin-4-amine
CID 55129581
1-(2-bromo-5-fluorophenyl)-3-phenylpiperazine
CID 107640112
4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine
CID 166271344
N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104932
1-(4-methoxy-2-methylphenyl)-4-methylpiperazine
CID 21363831
6,7-dimethyl-4-[(3R)-3-phenylpiperazin-1-yl]quinazoline
CID 143607812
2-(4-methoxy-2-methylphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939793
1-chloro-3-phenylpiperazine
CID 18428014

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).