1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol

C12H26N2O — CID 114496462

IUPAC1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
SMILESCC1CN(CC(C)(O)C(C)C)CC(C)N1
InChIInChI=1S/C12H26N2O/c1-9(2)12(5,15)8-14-6-10(3)13-11(4)7-14/h9-11,13,15H,6-8H2,1-5H3
InChIKeyAWNCGDHTQSBXHP-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds3

About 1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol

1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol (PubChem CID 114496462) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
PubChem CID114496462
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
SMILESCC1CN(CC(C)(O)C(C)C)CC(C)N1
InChIInChI=1S/C12H26N2O/c1-9(2)12(5,15)8-14-6-10(3)13-11(4)7-14/h9-11,13,15H,6-8H2,1-5H3
InChIKeyAWNCGDHTQSBXHP-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2,3-dimethylbutan-2-ol
CID 114447651
3-(3,5-dimethylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 104645103
1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol
CID 114449091
1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2,3-dimethylbutan-2-ol
CID 114496659
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496
1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-ol
CID 114448862
1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447436
2-(3,5-dimethylpiperazin-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethanol
CID 126496721
1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447622
1-(3,5-dimethylpiperazin-1-yl)propan-2-amine
CID 67575948
2,3-dimethyl-1-[2-(methylaminomethyl)morpholin-4-yl]butan-2-ol
CID 114496612
1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114448938

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol (CID 114496462) is 1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol is CC1CN(CC(C)(O)C(C)C)CC(C)N1.
What is the InChIKey of 1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol?
The InChIKey is AWNCGDHTQSBXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)12(5,15)8-14-6-10(3)13-11(4)7-14/h9-11,13,15H,6-8H2,1-5H3.
What are the key properties of 1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol?
1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114496462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).