2-(3,5-dimethylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethanol

C12H26N2O2 — CID 126496721

IUPAC2-(3,5-dimethylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCC1CN(CC(O)OC(C)(C)C)CC(C)N1
InChIInChI=1S/C12H26N2O2/c1-9-6-14(7-10(2)13-9)8-11(15)16-12(3,4)5/h9-11,13,15H,6-8H2,1-5H3
InChIKeyAGQCCPOJAZDIOB-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.80
Rot. Bonds3

About 2-(3,5-dimethylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethanol

2-(3,5-dimethylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethanol (PubChem CID 126496721) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethanol.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethanol
PubChem CID126496721
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCC1CN(CC(O)OC(C)(C)C)CC(C)N1
InChIInChI=1S/C12H26N2O2/c1-9-6-14(7-10(2)13-9)8-11(15)16-12(3,4)5/h9-11,13,15H,6-8H2,1-5H3
InChIKeyAGQCCPOJAZDIOB-UHFFFAOYSA-N
XLogP0.80
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethanol?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethanol (CID 126496721) is 2-(3,5-dimethylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethanol.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethanol?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethanol is CC1CN(CC(O)OC(C)(C)C)CC(C)N1.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethanol?
The InChIKey is AGQCCPOJAZDIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9-6-14(7-10(2)13-9)8-11(15)16-12(3,4)5/h9-11,13,15H,6-8H2,1-5H3.
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethanol?
2-(3,5-dimethylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethanol has a molecular weight of 230.35 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethanol is sourced from PubChem (CID 126496721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).