3-Methyl-2-(piperazin-2-yl)butan-2-ol

C9H20N2O — CID 66806031

IUPAC3-methyl-2-piperazin-2-ylbutan-2-ol
SMILESCC(C)C(C)(C1CNCCN1)O
InChIInChI=1S/C9H20N2O/c1-7(2)9(3,12)8-6-10-4-5-11-8/h7-8,10-12H,4-6H2,1-3H3
InChIKeyFWMIDOCQXUOCCE-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.10
Rot. Bonds2

About 3-Methyl-2-(piperazin-2-yl)butan-2-ol

3-Methyl-2-(piperazin-2-yl)butan-2-ol (PubChem CID 66806031) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-methyl-2-piperazin-2-ylbutan-2-ol.

Molecular Properties

Compound Name3-Methyl-2-(piperazin-2-yl)butan-2-ol
PubChem CID66806031
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-methyl-2-piperazin-2-ylbutan-2-ol
SMILESCC(C)C(C)(C1CNCCN1)O
InChIInChI=1S/C9H20N2O/c1-7(2)9(3,12)8-6-10-4-5-11-8/h7-8,10-12H,4-6H2,1-3H3
InChIKeyFWMIDOCQXUOCCE-UHFFFAOYSA-N
XLogP0.10
TPSA44.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity149

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-Methyl-2-(piperazin-2-yl)butan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-Methyl-2-(piperazin-2-yl)butan-2-ol?
The IUPAC name of 3-Methyl-2-(piperazin-2-yl)butan-2-ol (CID 66806031) is 3-methyl-2-piperazin-2-ylbutan-2-ol.
What is the SMILES notation for 3-Methyl-2-(piperazin-2-yl)butan-2-ol?
The canonical SMILES for 3-Methyl-2-(piperazin-2-yl)butan-2-ol is CC(C)C(C)(C1CNCCN1)O.
What is the InChIKey of 3-Methyl-2-(piperazin-2-yl)butan-2-ol?
The InChIKey is FWMIDOCQXUOCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)9(3,12)8-6-10-4-5-11-8/h7-8,10-12H,4-6H2,1-3H3.
What are the key properties of 3-Methyl-2-(piperazin-2-yl)butan-2-ol?
3-Methyl-2-(piperazin-2-yl)butan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Methyl-2-(piperazin-2-yl)butan-2-ol is sourced from PubChem (CID 66806031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).