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

C16H34N2O2 — CID 135167668

IUPAC1-tert-butyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine
SMILESCC(C)(C)OCCOCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2O2/c1-15(2,3)18-9-7-17(8-10-18)11-12-19-13-14-20-16(4,5)6/h7-14H2,1-6H3
InChIKeyXMQHMIUGPYUCRP-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.23
Rot. Bonds6

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

1-tert-butyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine (PubChem CID 135167668) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine
PubChem CID135167668
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name1-tert-butyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine
SMILESCC(C)(C)OCCOCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2O2/c1-15(2,3)18-9-7-17(8-10-18)11-12-19-13-14-20-16(4,5)6/h7-14H2,1-6H3
InChIKeyXMQHMIUGPYUCRP-UHFFFAOYSA-N
XLogP2.23
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.23
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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Related Compounds

1-tert-butyl-4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine
CID 171446821
1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperazine
CID 177085139
1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine
CID 166875795
1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine
CID 139545698
N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 167191561
2-iodo-N-[2-[2-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]propan-2-amine
CID 146332058
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propanenitrile
CID 112589445
1-tert-butyl-4-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine
CID 171718919
1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
CID 171447106
1-tert-butyl-4-propylpiperazine
CID 58721754
1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine
CID 146548352

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine (CID 135167668) is 1-tert-butyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine is CC(C)(C)OCCOCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine?
The InChIKey is XMQHMIUGPYUCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-15(2,3)18-9-7-17(8-10-18)11-12-19-13-14-20-16(4,5)6/h7-14H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine?
1-tert-butyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine has a molecular weight of 286.46 g/mol, XLogP of 2.23, 6 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-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine is sourced from PubChem (CID 135167668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).