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

C17H36N2O — CID 135167805

IUPAC1-tert-butyl-4-[2-(4,4-dimethylpentoxy)ethyl]piperazine
SMILESCC(C)(C)CCCOCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-16(2,3)8-7-14-20-15-13-18-9-11-19(12-10-18)17(4,5)6/h7-15H2,1-6H3
InChIKeyAJBOWFLJRZWPCX-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.25
Rot. Bonds6

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

1-tert-butyl-4-[2-(4,4-dimethylpentoxy)ethyl]piperazine (PubChem CID 135167805) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(4,4-dimethylpentoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(4,4-dimethylpentoxy)ethyl]piperazine
PubChem CID135167805
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-tert-butyl-4-[2-(4,4-dimethylpentoxy)ethyl]piperazine
SMILESCC(C)(C)CCCOCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-16(2,3)8-7-14-20-15-13-18-9-11-19(12-10-18)17(4,5)6/h7-15H2,1-6H3
InChIKeyAJBOWFLJRZWPCX-UHFFFAOYSA-N
XLogP3.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4,4-dimethylpentoxy)ethyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[2-(4,4-dimethylpentoxy)ethyl]piperazine (CID 135167805) is 1-tert-butyl-4-[2-(4,4-dimethylpentoxy)ethyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[2-(4,4-dimethylpentoxy)ethyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[2-(4,4-dimethylpentoxy)ethyl]piperazine is CC(C)(C)CCCOCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[2-(4,4-dimethylpentoxy)ethyl]piperazine?
The InChIKey is AJBOWFLJRZWPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-16(2,3)8-7-14-20-15-13-18-9-11-19(12-10-18)17(4,5)6/h7-15H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[2-(4,4-dimethylpentoxy)ethyl]piperazine?
1-tert-butyl-4-[2-(4,4-dimethylpentoxy)ethyl]piperazine has a molecular weight of 284.49 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(4,4-dimethylpentoxy)ethyl]piperazine is sourced from PubChem (CID 135167805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).