2-[4-(2,2-dimethylpropyl)-1-methylpiperazin-2-yl]ethanol

C12H26N2O — CID 45190989

IUPAC2-[4-(2,2-dimethylpropyl)-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(CC(C)(C)C)CC1CCO
InChIInChI=1S/C12H26N2O/c1-12(2,3)10-14-7-6-13(4)11(9-14)5-8-15/h11,15H,5-10H2,1-4H3
InChIKeyVMFPXZVWNRJRJR-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.03
Rot. Bonds3

About 2-[4-(2,2-dimethylpropyl)-1-methylpiperazin-2-yl]ethanol

2-[4-(2,2-dimethylpropyl)-1-methylpiperazin-2-yl]ethanol (PubChem CID 45190989) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylpropyl)-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2,2-dimethylpropyl)-1-methylpiperazin-2-yl]ethanol
PubChem CID45190989
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[4-(2,2-dimethylpropyl)-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(CC(C)(C)C)CC1CCO
InChIInChI=1S/C12H26N2O/c1-12(2,3)10-14-7-6-13(4)11(9-14)5-8-15/h11,15H,5-10H2,1-4H3
InChIKeyVMFPXZVWNRJRJR-UHFFFAOYSA-N
XLogP1.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylpropyl)-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(2,2-dimethylpropyl)-1-methylpiperazin-2-yl]ethanol (CID 45190989) is 2-[4-(2,2-dimethylpropyl)-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(2,2-dimethylpropyl)-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(2,2-dimethylpropyl)-1-methylpiperazin-2-yl]ethanol is CN1CCN(CC(C)(C)C)CC1CCO.
What is the InChIKey of 2-[4-(2,2-dimethylpropyl)-1-methylpiperazin-2-yl]ethanol?
The InChIKey is VMFPXZVWNRJRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,3)10-14-7-6-13(4)11(9-14)5-8-15/h11,15H,5-10H2,1-4H3.
What are the key properties of 2-[4-(2,2-dimethylpropyl)-1-methylpiperazin-2-yl]ethanol?
2-[4-(2,2-dimethylpropyl)-1-methylpiperazin-2-yl]ethanol has a molecular weight of 214.35 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylpropyl)-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 45190989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).