2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol

C13H26N2O2 — CID 115414793

IUPAC2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol
SMILESCN1CCN(C)C(CC(O)C2CCOCC2)C1
InChIInChI=1S/C13H26N2O2/c1-14-5-6-15(2)12(10-14)9-13(16)11-3-7-17-8-4-11/h11-13,16H,3-10H2,1-2H3
InChIKeyNEXGECLQAFQDNE-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.41
Rot. Bonds3

About 2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol

2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol (PubChem CID 115414793) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol
PubChem CID115414793
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol
SMILESCN1CCN(C)C(CC(O)C2CCOCC2)C1
InChIInChI=1S/C13H26N2O2/c1-14-5-6-15(2)12(10-14)9-13(16)11-3-7-17-8-4-11/h11-13,16H,3-10H2,1-2H3
InChIKeyNEXGECLQAFQDNE-UHFFFAOYSA-N
XLogP0.41
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 115414967
[2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105260141
2-(1,4-dimethylpiperazin-2-yl)-1-(oxolan-3-yl)ethanamine
CID 115415067
1-(3,4-dimethylcyclohexyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 115414907
1-(1,4-dimethylpiperazin-2-yl)-3-ethylpentan-2-ol
CID 115414788
[1-cyclopentyl-3-(1,4-dimethylpiperazin-2-yl)propan-2-yl]hydrazine
CID 105260117
1-cyclopentyl-2-(1,4-dimethylpiperazin-2-yl)ethanamine
CID 115415158
[(1,4-dimethylpiperazin-2-yl)-(oxan-4-yl)methyl]hydrazine
CID 105247241
1-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415048
2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol
CID 115414917
1-cyclopropyl-2-[3-[(1,4-dimethylpiperazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115415936
1-(1,4-dimethylpiperazin-2-yl)hept-5-yn-2-ol
CID 104804190

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol (CID 115414793) is 2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol is CN1CCN(C)C(CC(O)C2CCOCC2)C1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol?
The InChIKey is NEXGECLQAFQDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-14-5-6-15(2)12(10-14)9-13(16)11-3-7-17-8-4-11/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol?
2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol has a molecular weight of 242.36 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-1-(oxan-4-yl)ethanol is sourced from PubChem (CID 115414793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).