(2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol

C11H24N2O — CID 130572077

IUPAC(2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol
SMILESCC[C@@H](O)CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C11H24N2O/c1-5-10(14)8-13-7-6-12(4)11(2,3)9-13/h10,14H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyXTTBGEPYXRGVSB-SNVBAGLBSA-N
MW200.33 g/mol
LogP0.78
Rot. Bonds3

About (2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol

(2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol (PubChem CID 130572077) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol
PubChem CID130572077
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol
SMILESCC[C@@H](O)CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C11H24N2O/c1-5-10(14)8-13-7-6-12(4)11(2,3)9-13/h10,14H,5-9H2,1-4H3/t10-/m1/s1
InChIKeyXTTBGEPYXRGVSB-SNVBAGLBSA-N
XLogP0.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(3,3,4-trimethylpiperazin-1-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 (2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol?
The IUPAC name of (2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol (CID 130572077) is (2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol.
What is the SMILES notation for (2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol?
The canonical SMILES for (2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol is CC[C@@H](O)CN1CCN(C)C(C)(C)C1.
What is the InChIKey of (2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol?
The InChIKey is XTTBGEPYXRGVSB-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-10(14)8-13-7-6-12(4)11(2,3)9-13/h10,14H,5-9H2,1-4H3/t10-/m1/s1.
What are the key properties of (2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol?
(2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol is sourced from PubChem (CID 130572077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).