1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine

C18H38N2O — CID 139545699

IUPAC1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine
SMILESCC(C)(C)CCOCCN1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C18H38N2O/c1-17(2,3)7-9-19-10-12-20(13-11-19)14-16-21-15-8-18(4,5)6/h7-16H2,1-6H3
InChIKeyFQAWPPZPPAANED-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.49
Rot. Bonds7

About 1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine

1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine (PubChem CID 139545699) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine.

Molecular Properties

Compound Name1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine
PubChem CID139545699
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine
SMILESCC(C)(C)CCOCCN1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C18H38N2O/c1-17(2,3)7-9-19-10-12-20(13-11-19)14-16-21-15-8-18(4,5)6/h7-16H2,1-6H3
InChIKeyFQAWPPZPPAANED-UHFFFAOYSA-N
XLogP3.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.49
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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Related Compounds

2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol
CID 138648065
1-[2-(3,3-dimethylbutoxy)ethyl]-4-methylsulfanylpiperazine
CID 146617007
1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine
CID 139545698
1-(3,3-dimethylbutyl)-4-methylpiperazine;ethane
CID 145236948
1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
1-(3,3-dimethylbutyl)azocane
CID 166986973
N-[3-[4-(3,3-dimethylbutyl)piperazin-1-yl]propyl]-2-methylpropan-2-amine
CID 126654304
1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine
CID 166875795
1-[2-(5,5-dimethylhex-2-ynoxy)ethyl]-4-[2-(2,2-dimethylpropoxy)ethyl]piperazine
CID 153439588
1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
CID 134488975
1-tert-butyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine
CID 135167668
1-tert-butyl-4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine
CID 171446821

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine?
The IUPAC name of 1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine (CID 139545699) is 1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine.
What is the SMILES notation for 1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine?
The canonical SMILES for 1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine is CC(C)(C)CCOCCN1CCN(CCC(C)(C)C)CC1.
What is the InChIKey of 1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine?
The InChIKey is FQAWPPZPPAANED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-17(2,3)7-9-19-10-12-20(13-11-19)14-16-21-15-8-18(4,5)6/h7-16H2,1-6H3.
What are the key properties of 1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine?
1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine has a molecular weight of 298.51 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylbutoxy)ethyl]-4-(3,3-dimethylbutyl)piperazine is sourced from PubChem (CID 139545699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).