3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine

C16H26N2O — CID 64926715

IUPAC3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine
SMILESCCC1(CC)CN(c2ccc(OC)c(C)c2)CCN1
InChIInChI=1S/C16H26N2O/c1-5-16(6-2)12-18(10-9-17-16)14-7-8-15(19-4)13(3)11-14/h7-8,11,17H,5-6,9-10,12H2,1-4H3
InChIKeyVFBFRUCPJARFEF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.97
Rot. Bonds4

About 3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine

3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine (PubChem CID 64926715) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine.

Molecular Properties

Compound Name3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine
PubChem CID64926715
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine
SMILESCCC1(CC)CN(c2ccc(OC)c(C)c2)CCN1
InChIInChI=1S/C16H26N2O/c1-5-16(6-2)12-18(10-9-17-16)14-7-8-15(19-4)13(3)11-14/h7-8,11,17H,5-6,9-10,12H2,1-4H3
InChIKeyVFBFRUCPJARFEF-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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 3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine?
The IUPAC name of 3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine (CID 64926715) is 3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine.
What is the SMILES notation for 3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine?
The canonical SMILES for 3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine is CCC1(CC)CN(c2ccc(OC)c(C)c2)CCN1.
What is the InChIKey of 3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine?
The InChIKey is VFBFRUCPJARFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-16(6-2)12-18(10-9-17-16)14-7-8-15(19-4)13(3)11-14/h7-8,11,17H,5-6,9-10,12H2,1-4H3.
What are the key properties of 3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine?
3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine has a molecular weight of 262.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine is sourced from PubChem (CID 64926715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).