5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine

C18H38N2O — CID 106458682

IUPAC5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine
SMILESCCC(C)C1CN(CCOCC(C)C)C(C(C)(C)C)CN1
InChIInChI=1S/C18H38N2O/c1-8-15(4)16-12-20(9-10-21-13-14(2)3)17(11-19-16)18(5,6)7/h14-17,19H,8-13H2,1-7H3
InChIKeyKBAUANAMLFYIIH-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.39
Rot. Bonds7

About 5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine

5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine (PubChem CID 106458682) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine
PubChem CID106458682
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine
SMILESCCC(C)C1CN(CCOCC(C)C)C(C(C)(C)C)CN1
InChIInChI=1S/C18H38N2O/c1-8-15(4)16-12-20(9-10-21-13-14(2)3)17(11-19-16)18(5,6)7/h14-17,19H,8-13H2,1-7H3
InChIKeyKBAUANAMLFYIIH-UHFFFAOYSA-N
XLogP3.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Ethyl-2-(morpholin-4-yl)pentan-1-amine
CID 16228000
3-Methyl-2-(morpholin-4-yl)butan-1-amine
CID 16227933
(4-Tert-butylcyclohexyl)[2-(4-morpholinyl)ethyl]amine
CID 758268
4-[1-(3,9-Diazaspiro[5.5]undecan-3-yl)-2-methylpropan-2-yl]morpholine
CID 56894471
3,3-Dimethyl-1-(morpholin-4-yl)butan-2-amine
CID 16788911
(2S,3S)-3-methyl-1-morpholin-4-ylpentan-2-amine
CID 28406548
(2S)-3,3-dimethyl-1-morpholin-4-ylbutan-2-amine
CID 30817605
3,3-dimethyl-N-(3-morpholin-4-ylbutan-2-yl)butan-1-amine
CID 86804297
3-Butan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64832897
2-Butan-2-yl-5,5-dimethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64838155
2-Tert-butyl-5-propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64838787
2-Butan-2-yl-5-propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 64840006

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
The IUPAC name of 5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine (CID 106458682) is 5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine.
What is the SMILES notation for 5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
The canonical SMILES for 5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine is CCC(C)C1CN(CCOCC(C)C)C(C(C)(C)C)CN1.
What is the InChIKey of 5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
The InChIKey is KBAUANAMLFYIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-8-15(4)16-12-20(9-10-21-13-14(2)3)17(11-19-16)18(5,6)7/h14-17,19H,8-13H2,1-7H3.
What are the key properties of 5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine?
5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine has a molecular weight of 298.51 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-tert-butyl-1-[2-(2-methylpropoxy)ethyl]piperazine is sourced from PubChem (CID 106458682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).