2-(4-tert-butyl-3-methylpiperazin-1-yl)ethanol

C11H24N2O — CID 67976426

IUPAC2-(4-tert-butyl-3-methylpiperazin-1-yl)ethanol
SMILESCC1CN(CCO)CCN1C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-10-9-12(7-8-14)5-6-13(10)11(2,3)4/h10,14H,5-9H2,1-4H3
InChIKeyLCYSUMMPXFKKHM-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.78
Rot. Bonds2

About 2-(4-tert-butyl-3-methylpiperazin-1-yl)ethanol

2-(4-tert-butyl-3-methylpiperazin-1-yl)ethanol (PubChem CID 67976426) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-(4-tert-butyl-3-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butyl-3-methylpiperazin-1-yl)ethanol
PubChem CID67976426
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-(4-tert-butyl-3-methylpiperazin-1-yl)ethanol
SMILESCC1CN(CCO)CCN1C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-10-9-12(7-8-14)5-6-13(10)11(2,3)4/h10,14H,5-9H2,1-4H3
InChIKeyLCYSUMMPXFKKHM-UHFFFAOYSA-N
XLogP0.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-3-methylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-tert-butyl-3-methylpiperazin-1-yl)ethanol (CID 67976426) is 2-(4-tert-butyl-3-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-tert-butyl-3-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-tert-butyl-3-methylpiperazin-1-yl)ethanol is CC1CN(CCO)CCN1C(C)(C)C.
What is the InChIKey of 2-(4-tert-butyl-3-methylpiperazin-1-yl)ethanol?
The InChIKey is LCYSUMMPXFKKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10-9-12(7-8-14)5-6-13(10)11(2,3)4/h10,14H,5-9H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-3-methylpiperazin-1-yl)ethanol?
2-(4-tert-butyl-3-methylpiperazin-1-yl)ethanol has a molecular weight of 200.33 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-3-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 67976426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).