1-methyl-4-[4-[(2-methylpropan-2-yl)oxy]butyl]piperazine

C13H28N2O — CID 70848264

IUPAC1-methyl-4-[4-[(2-methylpropan-2-yl)oxy]butyl]piperazine
SMILESCN1CCN(CCCCOC(C)(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)16-12-6-5-7-15-10-8-14(4)9-11-15/h5-12H2,1-4H3
InChIKeyJIKWXACMZHGPHP-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.83
Rot. Bonds5

About 1-methyl-4-[4-[(2-methylpropan-2-yl)oxy]butyl]piperazine

1-methyl-4-[4-[(2-methylpropan-2-yl)oxy]butyl]piperazine (PubChem CID 70848264) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-methyl-4-[4-[(2-methylpropan-2-yl)oxy]butyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-[(2-methylpropan-2-yl)oxy]butyl]piperazine
PubChem CID70848264
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-methyl-4-[4-[(2-methylpropan-2-yl)oxy]butyl]piperazine
SMILESCN1CCN(CCCCOC(C)(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-13(2,3)16-12-6-5-7-15-10-8-14(4)9-11-15/h5-12H2,1-4H3
InChIKeyJIKWXACMZHGPHP-UHFFFAOYSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.83
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-methyl-4-[4-[(2-methylpropan-2-yl)oxy]butyl]piperazine?
The IUPAC name of 1-methyl-4-[4-[(2-methylpropan-2-yl)oxy]butyl]piperazine (CID 70848264) is 1-methyl-4-[4-[(2-methylpropan-2-yl)oxy]butyl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-[(2-methylpropan-2-yl)oxy]butyl]piperazine?
The canonical SMILES for 1-methyl-4-[4-[(2-methylpropan-2-yl)oxy]butyl]piperazine is CN1CCN(CCCCOC(C)(C)C)CC1.
What is the InChIKey of 1-methyl-4-[4-[(2-methylpropan-2-yl)oxy]butyl]piperazine?
The InChIKey is JIKWXACMZHGPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,3)16-12-6-5-7-15-10-8-14(4)9-11-15/h5-12H2,1-4H3.
What are the key properties of 1-methyl-4-[4-[(2-methylpropan-2-yl)oxy]butyl]piperazine?
1-methyl-4-[4-[(2-methylpropan-2-yl)oxy]butyl]piperazine has a molecular weight of 228.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(2-methylpropan-2-yl)oxy]butyl]piperazine is sourced from PubChem (CID 70848264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).