1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine

C15H32N2O2 — CID 166875795

IUPAC1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine
SMILESCCCOCCOCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H32N2O2/c1-5-11-18-13-14-19-12-10-16-6-8-17(9-7-16)15(2,3)4/h5-14H2,1-4H3
InChIKeyKIPJRJRSWPXRCK-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.85
Rot. Bonds8

About 1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine

1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine (PubChem CID 166875795) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine
PubChem CID166875795
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine
SMILESCCCOCCOCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H32N2O2/c1-5-11-18-13-14-19-12-10-16-6-8-17(9-7-16)15(2,3)4/h5-14H2,1-4H3
InChIKeyKIPJRJRSWPXRCK-UHFFFAOYSA-N
XLogP1.85
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.85
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

N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 167191561
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-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine
CID 135167668
1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine
CID 139545698
1-tert-butyl-4-propylpiperazine
CID 58721754
[4-(2-propoxyethyl)piperazin-1-yl] 2,2-dimethylpropanoate
CID 174949673
N-methyl-2-[4-(2-propoxyethyl)piperazin-1-yl]ethanamine
CID 166151976
ethane;4-(2-propoxyethyl)morpholine
CID 154661305
1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine
CID 146548352
tert-butyl N-[2-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxy]ethyl]carbamate
CID 158666414
1-tert-butyl-4-[2-(2-pyridin-2-ylethoxy)ethyl]piperazine
CID 171718919
1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine
CID 139545699

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine (CID 166875795) is 1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine is CCCOCCOCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine?
The InChIKey is KIPJRJRSWPXRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-5-11-18-13-14-19-12-10-16-6-8-17(9-7-16)15(2,3)4/h5-14H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine?
1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine has a molecular weight of 272.43 g/mol, XLogP of 1.85, 8 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-propoxyethoxy)ethyl]piperazine is sourced from PubChem (CID 166875795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).