1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine

C16H26N2O — CID 64952586

IUPAC1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine
SMILESCOc1ccc(N2CCNC(CC(C)C)C2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12(2)9-14-11-18(8-7-17-14)16-6-5-15(19-4)10-13(16)3/h5-6,10,12,14,17H,7-9,11H2,1-4H3
InChIKeyFMTZXXOJPKHRQB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds4

About 1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine

1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine (PubChem CID 64952586) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine
PubChem CID64952586
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine
SMILESCOc1ccc(N2CCNC(CC(C)C)C2)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12(2)9-14-11-18(8-7-17-14)16-6-5-15(19-4)10-13(16)3/h5-6,10,12,14,17H,7-9,11H2,1-4H3
InChIKeyFMTZXXOJPKHRQB-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine (CID 64952586) is 1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine is COc1ccc(N2CCNC(CC(C)C)C2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine?
The InChIKey is FMTZXXOJPKHRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)9-14-11-18(8-7-17-14)16-6-5-15(19-4)10-13(16)3/h5-6,10,12,14,17H,7-9,11H2,1-4H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine?
1-(4-methoxy-2-methylphenyl)-3-(2-methylpropyl)piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.83, 4 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-(2-methylpropyl)piperazine is sourced from PubChem (CID 64952586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).