5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine

C18H30N2O — CID 64930181

IUPAC5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine
SMILESCOc1ccc(CCN2CC(C(C)(C)C)NCC2C)cc1
InChIInChI=1S/C18H30N2O/c1-14-12-19-17(18(2,3)4)13-20(14)11-10-15-6-8-16(21-5)9-7-15/h6-9,14,17,19H,10-13H2,1-5H3
InChIKeyOGXHDZCUAPSTKY-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.95
Rot. Bonds4

About 5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine

5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine (PubChem CID 64930181) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine
PubChem CID64930181
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine
SMILESCOc1ccc(CCN2CC(C(C)(C)C)NCC2C)cc1
InChIInChI=1S/C18H30N2O/c1-14-12-19-17(18(2,3)4)13-20(14)11-10-15-6-8-16(21-5)9-7-15/h6-9,14,17,19H,10-13H2,1-5H3
InChIKeyOGXHDZCUAPSTKY-UHFFFAOYSA-N
XLogP2.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine?
The IUPAC name of 5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine (CID 64930181) is 5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine?
The canonical SMILES for 5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine is COc1ccc(CCN2CC(C(C)(C)C)NCC2C)cc1.
What is the InChIKey of 5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine?
The InChIKey is OGXHDZCUAPSTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14-12-19-17(18(2,3)4)13-20(14)11-10-15-6-8-16(21-5)9-7-15/h6-9,14,17,19H,10-13H2,1-5H3.
What are the key properties of 5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine?
5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine has a molecular weight of 290.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine is sourced from PubChem (CID 64930181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).