3-piperazin-1-ylcyclobutan-1-ol;dihydrochloride

C8H18Cl2N2O — CID 155895695

IUPAC3-piperazin-1-ylcyclobutan-1-ol;dihydrochloride
SMILESCl.Cl.OC1CC(N2CCNCC2)C1
InChIInChI=1S/C8H16N2O.2ClH/c11-8-5-7(6-8)10-3-1-9-2-4-10;;/h7-9,11H,1-6H2;2*1H
InChIKeyIYJNZSMGRGLFGB-UHFFFAOYSA-N
MW229.15 g/mol
LogP0.26
Rot. Bonds1

About 3-piperazin-1-ylcyclobutan-1-ol;dihydrochloride

3-piperazin-1-ylcyclobutan-1-ol;dihydrochloride (PubChem CID 155895695) has the molecular formula C8H18Cl2N2O and a molecular weight of 229.15 g/mol. Its IUPAC name is 3-piperazin-1-ylcyclobutan-1-ol;dihydrochloride.

Molecular Properties

Compound Name3-piperazin-1-ylcyclobutan-1-ol;dihydrochloride
PubChem CID155895695
Molecular FormulaC8H18Cl2N2O
Molecular Weight229.15 g/mol
Exact Mass228.08
IUPAC Name3-piperazin-1-ylcyclobutan-1-ol;dihydrochloride
SMILESCl.Cl.OC1CC(N2CCNCC2)C1
InChIInChI=1S/C8H16N2O.2ClH/c11-8-5-7(6-8)10-3-1-9-2-4-10;;/h7-9,11H,1-6H2;2*1H
InChIKeyIYJNZSMGRGLFGB-UHFFFAOYSA-N
XLogP0.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylcyclobutan-1-ol;dihydrochloride?
The IUPAC name of 3-piperazin-1-ylcyclobutan-1-ol;dihydrochloride (CID 155895695) is 3-piperazin-1-ylcyclobutan-1-ol;dihydrochloride.
What is the SMILES notation for 3-piperazin-1-ylcyclobutan-1-ol;dihydrochloride?
The canonical SMILES for 3-piperazin-1-ylcyclobutan-1-ol;dihydrochloride is Cl.Cl.OC1CC(N2CCNCC2)C1.
What is the InChIKey of 3-piperazin-1-ylcyclobutan-1-ol;dihydrochloride?
The InChIKey is IYJNZSMGRGLFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.2ClH/c11-8-5-7(6-8)10-3-1-9-2-4-10;;/h7-9,11H,1-6H2;2*1H.
What are the key properties of 3-piperazin-1-ylcyclobutan-1-ol;dihydrochloride?
3-piperazin-1-ylcyclobutan-1-ol;dihydrochloride has a molecular weight of 229.15 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylcyclobutan-1-ol;dihydrochloride is sourced from PubChem (CID 155895695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).