1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine

C12H26N2O — CID 58801323

IUPAC1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
SMILESCN1CCN(CCCOC(C)(C)C)CC1
InChIInChI=1S/C12H26N2O/c1-12(2,3)15-11-5-6-14-9-7-13(4)8-10-14/h5-11H2,1-4H3
InChIKeyFWTYMGHUZCQEKK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.44
Rot. Bonds4

About 1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine

1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine (PubChem CID 58801323) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
PubChem CID58801323
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
SMILESCN1CCN(CCCOC(C)(C)C)CC1
InChIInChI=1S/C12H26N2O/c1-12(2,3)15-11-5-6-14-9-7-13(4)8-10-14/h5-11H2,1-4H3
InChIKeyFWTYMGHUZCQEKK-UHFFFAOYSA-N
XLogP1.44
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.44
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-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine (CID 58801323) is 1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine is CN1CCN(CCCOC(C)(C)C)CC1.
What is the InChIKey of 1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine?
The InChIKey is FWTYMGHUZCQEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,3)15-11-5-6-14-9-7-13(4)8-10-14/h5-11H2,1-4H3.
What are the key properties of 1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine?
1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine has a molecular weight of 214.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine is sourced from PubChem (CID 58801323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).