5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine

C17H36N2O2 — CID 103184526

IUPAC5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine
SMILESCOCCCOCCN1CC(C(C)(C)C)NCC1C(C)C
InChIInChI=1S/C17H36N2O2/c1-14(2)15-12-18-16(17(3,4)5)13-19(15)8-11-21-10-7-9-20-6/h14-16,18H,7-13H2,1-6H3
InChIKeyZSIVGHJZGBUTJR-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.38
Rot. Bonds8

About 5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine

5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine (PubChem CID 103184526) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine
PubChem CID103184526
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine
SMILESCOCCCOCCN1CC(C(C)(C)C)NCC1C(C)C
InChIInChI=1S/C17H36N2O2/c1-14(2)15-12-18-16(17(3,4)5)13-19(15)8-11-21-10-7-9-20-6/h14-16,18H,7-13H2,1-6H3
InChIKeyZSIVGHJZGBUTJR-UHFFFAOYSA-N
XLogP2.38
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine
CID 64842412
5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008736
4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946962
5-tert-butyl-1-(cyclopropylmethyl)-2-propan-2-ylpiperazine
CID 64842219
1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine
CID 64845683
5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64841627
5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 64947681
5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 106294168
2-butan-2-yl-5-tert-butyl-1-propylpiperazine
CID 64841066
2-butan-2-yl-5-ethyl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64843102
2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine
CID 82947777
5-tert-butyl-2-cyclopropyl-1-(2-ethoxyethyl)piperazine
CID 64841456

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine?
The IUPAC name of 5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine (CID 103184526) is 5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine is COCCCOCCN1CC(C(C)(C)C)NCC1C(C)C.
What is the InChIKey of 5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine?
The InChIKey is ZSIVGHJZGBUTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-14(2)15-12-18-16(17(3,4)5)13-19(15)8-11-21-10-7-9-20-6/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine?
5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine has a molecular weight of 300.49 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 103184526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).