3-(4-ethyl-3-methylpiperazin-1-yl)oxan-4-ol

C12H24N2O2 — CID 63635222

IUPAC3-(4-ethyl-3-methylpiperazin-1-yl)oxan-4-ol
SMILESCCN1CCN(C2COCCC2O)CC1C
InChIInChI=1S/C12H24N2O2/c1-3-13-5-6-14(8-10(13)2)11-9-16-7-4-12(11)15/h10-12,15H,3-9H2,1-2H3
InChIKeyPWHYVSCZOFKHIN-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.16
Rot. Bonds2

About 3-(4-ethyl-3-methylpiperazin-1-yl)oxan-4-ol

3-(4-ethyl-3-methylpiperazin-1-yl)oxan-4-ol (PubChem CID 63635222) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(4-ethyl-3-methylpiperazin-1-yl)oxan-4-ol.

Molecular Properties

Compound Name3-(4-ethyl-3-methylpiperazin-1-yl)oxan-4-ol
PubChem CID63635222
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(4-ethyl-3-methylpiperazin-1-yl)oxan-4-ol
SMILESCCN1CCN(C2COCCC2O)CC1C
InChIInChI=1S/C12H24N2O2/c1-3-13-5-6-14(8-10(13)2)11-9-16-7-4-12(11)15/h10-12,15H,3-9H2,1-2H3
InChIKeyPWHYVSCZOFKHIN-UHFFFAOYSA-N
XLogP0.16
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-ethyl-3-methylpiperazin-1-yl)oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxypyrrolidin-1-yl)oxan-4-ol
CID 103537640
(2R)-4-cyclobutyl-1-ethyl-2-methylpiperazine
CID 145118975
2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexan-1-amine
CID 63610861
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)oxan-4-ol
CID 115763463
4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 63620374
2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine
CID 63609321
3-(2,2,6,6-tetramethylmorpholin-4-yl)oxan-4-ol
CID 102745369
N-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine
CID 55216764
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151
[2-(4-ethyl-3-methylpiperazin-1-yl)-4-propylcyclohexyl]methanamine
CID 63603329
3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol
CID 103061657
3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061129

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3-methylpiperazin-1-yl)oxan-4-ol?
The IUPAC name of 3-(4-ethyl-3-methylpiperazin-1-yl)oxan-4-ol (CID 63635222) is 3-(4-ethyl-3-methylpiperazin-1-yl)oxan-4-ol.
What is the SMILES notation for 3-(4-ethyl-3-methylpiperazin-1-yl)oxan-4-ol?
The canonical SMILES for 3-(4-ethyl-3-methylpiperazin-1-yl)oxan-4-ol is CCN1CCN(C2COCCC2O)CC1C.
What is the InChIKey of 3-(4-ethyl-3-methylpiperazin-1-yl)oxan-4-ol?
The InChIKey is PWHYVSCZOFKHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-13-5-6-14(8-10(13)2)11-9-16-7-4-12(11)15/h10-12,15H,3-9H2,1-2H3.
What are the key properties of 3-(4-ethyl-3-methylpiperazin-1-yl)oxan-4-ol?
3-(4-ethyl-3-methylpiperazin-1-yl)oxan-4-ol has a molecular weight of 228.34 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3-methylpiperazin-1-yl)oxan-4-ol is sourced from PubChem (CID 63635222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).