1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-prop-1-en-2-ylpiperazine

C13H26N2O — CID 58171985

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-12(2)15-8-6-14(7-9-15)10-11-16-13(3,4)5/h1,6-11H2,2-5H3
InChIKeyCJGZLMWTFQGRHX-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.95
Rot. Bonds4

About 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-prop-1-en-2-ylpiperazine

1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-prop-1-en-2-ylpiperazine (PubChem CID 58171985) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-prop-1-en-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-prop-1-en-2-ylpiperazine
PubChem CID58171985
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-12(2)15-8-6-14(7-9-15)10-11-16-13(3,4)5/h1,6-11H2,2-5H3
InChIKeyCJGZLMWTFQGRHX-UHFFFAOYSA-N
XLogP1.95
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-prop-1-en-2-ylpiperazine?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-prop-1-en-2-ylpiperazine (CID 58171985) is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-prop-1-en-2-ylpiperazine.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-prop-1-en-2-ylpiperazine?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-prop-1-en-2-ylpiperazine is C=C(C)N1CCN(CCOC(C)(C)C)CC1.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-prop-1-en-2-ylpiperazine?
The InChIKey is CJGZLMWTFQGRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)15-8-6-14(7-9-15)10-11-16-13(3,4)5/h1,6-11H2,2-5H3.
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-prop-1-en-2-ylpiperazine?
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-prop-1-en-2-ylpiperazine has a molecular weight of 226.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-prop-1-en-2-ylpiperazine is sourced from PubChem (CID 58171985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).