3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine

C14H22N2O — CID 64926350

IUPAC3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine
SMILESCCC1CN(c2ccc(OC)c(C)c2)CCN1
InChIInChI=1S/C14H22N2O/c1-4-12-10-16(8-7-15-12)13-5-6-14(17-3)11(2)9-13/h5-6,9,12,15H,4,7-8,10H2,1-3H3
InChIKeyPIOSJFYFTWZHTD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.19
Rot. Bonds3

About 3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine

3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine (PubChem CID 64926350) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine.

Molecular Properties

Compound Name3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine
PubChem CID64926350
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine
SMILESCCC1CN(c2ccc(OC)c(C)c2)CCN1
InChIInChI=1S/C14H22N2O/c1-4-12-10-16(8-7-15-12)13-5-6-14(17-3)11(2)9-13/h5-6,9,12,15H,4,7-8,10H2,1-3H3
InChIKeyPIOSJFYFTWZHTD-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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 3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine?
The IUPAC name of 3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine (CID 64926350) is 3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine.
What is the SMILES notation for 3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine?
The canonical SMILES for 3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine is CCC1CN(c2ccc(OC)c(C)c2)CCN1.
What is the InChIKey of 3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine?
The InChIKey is PIOSJFYFTWZHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-12-10-16(8-7-15-12)13-5-6-14(17-3)11(2)9-13/h5-6,9,12,15H,4,7-8,10H2,1-3H3.
What are the key properties of 3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine?
3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine has a molecular weight of 234.34 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 3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine is sourced from PubChem (CID 64926350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).