1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine

C17H28N2O — CID 90381204

IUPAC1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine
SMILESCCOc1cc(N2CCN(C)CC2)ccc1C(C)(C)C
InChIInChI=1S/C17H28N2O/c1-6-20-16-13-14(7-8-15(16)17(2,3)4)19-11-9-18(5)10-12-19/h7-8,13H,6,9-12H2,1-5H3
InChIKeyKOZTVHPOOKVCAV-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.13
Rot. Bonds3

About 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine

1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine (PubChem CID 90381204) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine
PubChem CID90381204
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine
SMILESCCOc1cc(N2CCN(C)CC2)ccc1C(C)(C)C
InChIInChI=1S/C17H28N2O/c1-6-20-16-13-14(7-8-15(16)17(2,3)4)19-11-9-18(5)10-12-19/h7-8,13H,6,9-12H2,1-5H3
InChIKeyKOZTVHPOOKVCAV-UHFFFAOYSA-N
XLogP3.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine?
The IUPAC name of 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine (CID 90381204) is 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine is CCOc1cc(N2CCN(C)CC2)ccc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine?
The InChIKey is KOZTVHPOOKVCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-20-16-13-14(7-8-15(16)17(2,3)4)19-11-9-18(5)10-12-19/h7-8,13H,6,9-12H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine?
1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine has a molecular weight of 276.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine is sourced from PubChem (CID 90381204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).