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

C19H40N2O2 — CID 139545698

IUPAC1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine
SMILESCC(C)(C)CCCOCCOCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C19H40N2O2/c1-18(2,3)8-7-14-22-16-17-23-15-13-20-9-11-21(12-10-20)19(4,5)6/h7-17H2,1-6H3
InChIKeyJYFUNCXXIGDUMB-UHFFFAOYSA-N
MW328.54 g/mol
LogP3.26
Rot. Bonds9

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

1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine (PubChem CID 139545698) has the molecular formula C19H40N2O2 and a molecular weight of 328.54 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine
PubChem CID139545698
Molecular FormulaC19H40N2O2
Molecular Weight328.54 g/mol
Exact Mass328.31
IUPAC Name1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine
SMILESCC(C)(C)CCCOCCOCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C19H40N2O2/c1-18(2,3)8-7-14-22-16-17-23-15-13-20-9-11-21(12-10-20)19(4,5)6/h7-17H2,1-6H3
InChIKeyJYFUNCXXIGDUMB-UHFFFAOYSA-N
XLogP3.26
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.54
LogP ≤ 53.26
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-propoxyethoxy)ethyl]piperazine
CID 166875795
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-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine
CID 139545699
1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;1-tert-butyl-4-(6,6-dimethylheptyl)piperazine;1-tert-butyl-4-[2-(5,5-dimethylhexoxy)ethyl]piperazine;1-tert-butyl-4-(5,5-dimethylhexyl)piperazine;1-tert-butyl-N-(7,7-dimethyloctyl)-N-methylpiperidin-4-amine;1-tert-butyl-4-[3-(4,4-dimethylpentoxy)propyl]piperazine;1-tert-butyl-4-(4,4-dimethylpentyl)piperazine;1-tert-butyl-4-(2,2-dimethylpropyl)piperazine;1,4-ditert-butylpiperazine
CID 159108032
N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 167191561
1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine
CID 155244121
1-tert-butyl-4-[2-[[1-(2,2-dimethylpropyl)piperidin-4-yl]methoxy]ethyl]piperazine
CID 146548352
4-[2-(4,4-dimethylpentoxy)ethyl]morpholine;N-methylethanamine
CID 142623125
2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol
CID 138648065
1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine
CID 166875797
1-[2-(3,3-dimethylbutoxy)ethyl]-4-methylsulfanylpiperazine
CID 146617007

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine?
The IUPAC name of 1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine (CID 139545698) is 1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine is CC(C)(C)CCCOCCOCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine?
The InChIKey is JYFUNCXXIGDUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O2/c1-18(2,3)8-7-14-22-16-17-23-15-13-20-9-11-21(12-10-20)19(4,5)6/h7-17H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine?
1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine has a molecular weight of 328.54 g/mol, XLogP of 3.26, 9 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-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine is sourced from PubChem (CID 139545698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).