5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine

C17H28N2O — CID 64942325

IUPAC5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine
SMILESCCC1CN(c2ccc(OC)cc2C)C(C(C)C)CN1
InChIInChI=1S/C17H28N2O/c1-6-14-11-19(17(10-18-14)12(2)3)16-8-7-15(20-5)9-13(16)4/h7-9,12,14,17-18H,6,10-11H2,1-5H3
InChIKeyYZISLLCQBGCWGB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds4

About 5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine

5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine (PubChem CID 64942325) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine
PubChem CID64942325
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine
SMILESCCC1CN(c2ccc(OC)cc2C)C(C(C)C)CN1
InChIInChI=1S/C17H28N2O/c1-6-14-11-19(17(10-18-14)12(2)3)16-8-7-15(20-5)9-13(16)4/h7-9,12,14,17-18H,6,10-11H2,1-5H3
InChIKeyYZISLLCQBGCWGB-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.22
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

5-ethyl-1-(3-methoxyphenyl)-2-propan-2-ylpiperazine
CID 64932840
1-(5-bromo-2-methoxyphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64946893
1-(4-fluoro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64932857
1-(4-bromo-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64934509
1-(4-bromo-2-chlorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64935887
1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64933948
1-(4-methoxy-2-methylphenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64941938
5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine
CID 114840927
1-(2-bromo-5-chloro-4-methylphenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 104725347
5-ethyl-1-phenyl-2-propan-2-ylpiperazine
CID 64930277
1-(3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64933006
1-(2,4-dimethylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64954676

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine (CID 64942325) is 5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine is CCC1CN(c2ccc(OC)cc2C)C(C(C)C)CN1.
What is the InChIKey of 5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine?
The InChIKey is YZISLLCQBGCWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-14-11-19(17(10-18-14)12(2)3)16-8-7-15(20-5)9-13(16)4/h7-9,12,14,17-18H,6,10-11H2,1-5H3.
What are the key properties of 5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine?
5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine has a molecular weight of 276.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-methoxy-2-methylphenyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64942325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).