2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanol

C12H26N2O — CID 20792967

IUPAC2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanol
SMILESCC(C)(C)CCN1CCN(CCO)CC1
InChIInChI=1S/C12H26N2O/c1-12(2,3)4-5-13-6-8-14(9-7-13)10-11-15/h15H,4-11H2,1-3H3
InChIKeyCSBJRNMYSPWCQK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.03
Rot. Bonds4

About 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanol

2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanol (PubChem CID 20792967) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanol
PubChem CID20792967
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanol
SMILESCC(C)(C)CCN1CCN(CCO)CC1
InChIInChI=1S/C12H26N2O/c1-12(2,3)4-5-13-6-8-14(9-7-13)10-11-15/h15H,4-11H2,1-3H3
InChIKeyCSBJRNMYSPWCQK-UHFFFAOYSA-N
XLogP1.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

2-(4-Propylpiperazin-1-yl)ethanol
CID 21462312
2-(4-Isobutylpiperazin-1-yl)ethanol
CID 4739636
[(2R,5S)-1,4-dimethyl-5-propan-2-ylpiperazin-2-yl]methanol
CID 135011279
3,3-Dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-2-ol
CID 62966552
2-(4-n-Butyl-1-piperazinyl)ethanol
CID 18695485
2-(4,4-Dimethylpiperidin-1-yl)ethanol
CID 18723046
2-(3,3,4-Trimethylpiperazin-1-yl)ethanol
CID 20069540
2-(4-Ethyl-3,3-dimethylpiperazin-1-yl)ethanol
CID 20069793
2-(3-Ethyl-4-propylpiperazin-1-yl)ethanol
CID 20069936
2-(3,4-Diethylpiperazin-1-yl)ethanol
CID 20069992
2-(3-Ethyl-4-methylpiperazin-1-yl)ethanol
CID 20070013
2-(3,3-Dimethyl-4-propylpiperazin-1-yl)ethanol
CID 20070018

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanol (CID 20792967) is 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanol is CC(C)(C)CCN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanol?
The InChIKey is CSBJRNMYSPWCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2,3)4-5-13-6-8-14(9-7-13)10-11-15/h15H,4-11H2,1-3H3.
What are the key properties of 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanol?
2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanol has a molecular weight of 214.35 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylbutyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 20792967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).