2-methyl-4-piperazin-1-ylbutan-2-ol;dihydrochloride

C9H22Cl2N2O — CID 22120213

IUPAC2-methyl-4-piperazin-1-ylbutan-2-ol;dihydrochloride
SMILESCC(C)(O)CCN1CCNCC1.Cl.Cl
InChIInChI=1S/C9H20N2O.2ClH/c1-9(2,12)3-6-11-7-4-10-5-8-11;;/h10,12H,3-8H2,1-2H3;2*1H
InChIKeyZCOOQIRBVTWEIZ-UHFFFAOYSA-N
MW245.19 g/mol
LogP0.90
Rot. Bonds3

About 2-methyl-4-piperazin-1-ylbutan-2-ol;dihydrochloride

2-methyl-4-piperazin-1-ylbutan-2-ol;dihydrochloride (PubChem CID 22120213) has the molecular formula C9H22Cl2N2O and a molecular weight of 245.19 g/mol. Its IUPAC name is 2-methyl-4-piperazin-1-ylbutan-2-ol;dihydrochloride.

Molecular Properties

Compound Name2-methyl-4-piperazin-1-ylbutan-2-ol;dihydrochloride
PubChem CID22120213
Molecular FormulaC9H22Cl2N2O
Molecular Weight245.19 g/mol
Exact Mass244.11
IUPAC Name2-methyl-4-piperazin-1-ylbutan-2-ol;dihydrochloride
SMILESCC(C)(O)CCN1CCNCC1.Cl.Cl
InChIInChI=1S/C9H20N2O.2ClH/c1-9(2,12)3-6-11-7-4-10-5-8-11;;/h10,12H,3-8H2,1-2H3;2*1H
InChIKeyZCOOQIRBVTWEIZ-UHFFFAOYSA-N
XLogP0.90
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperazin-1-ylbutan-2-ol;dihydrochloride?
The IUPAC name of 2-methyl-4-piperazin-1-ylbutan-2-ol;dihydrochloride (CID 22120213) is 2-methyl-4-piperazin-1-ylbutan-2-ol;dihydrochloride.
What is the SMILES notation for 2-methyl-4-piperazin-1-ylbutan-2-ol;dihydrochloride?
The canonical SMILES for 2-methyl-4-piperazin-1-ylbutan-2-ol;dihydrochloride is CC(C)(O)CCN1CCNCC1.Cl.Cl.
What is the InChIKey of 2-methyl-4-piperazin-1-ylbutan-2-ol;dihydrochloride?
The InChIKey is ZCOOQIRBVTWEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.2ClH/c1-9(2,12)3-6-11-7-4-10-5-8-11;;/h10,12H,3-8H2,1-2H3;2*1H.
What are the key properties of 2-methyl-4-piperazin-1-ylbutan-2-ol;dihydrochloride?
2-methyl-4-piperazin-1-ylbutan-2-ol;dihydrochloride has a molecular weight of 245.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperazin-1-ylbutan-2-ol;dihydrochloride is sourced from PubChem (CID 22120213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).