1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperazine

C15H32N2O2 — CID 177085139

IUPAC1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperazine
SMILESCC(C)(C)OCCOCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H32N2O2/c1-14(2,3)17-9-7-16(8-10-17)13-18-11-12-19-15(4,5)6/h7-13H2,1-6H3
InChIKeyNZRGNEJZEYHOIN-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.19
Rot. Bonds5

About 1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperazine

1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperazine (PubChem CID 177085139) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperazine
PubChem CID177085139
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperazine
SMILESCC(C)(C)OCCOCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H32N2O2/c1-14(2,3)17-9-7-16(8-10-17)13-18-11-12-19-15(4,5)6/h7-13H2,1-6H3
InChIKeyNZRGNEJZEYHOIN-UHFFFAOYSA-N
XLogP2.19
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperazine (CID 177085139) is 1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperazine is CC(C)(C)OCCOCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperazine?
The InChIKey is NZRGNEJZEYHOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-14(2,3)17-9-7-16(8-10-17)13-18-11-12-19-15(4,5)6/h7-13H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperazine?
1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperazine has a molecular weight of 272.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperazine is sourced from PubChem (CID 177085139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).