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

C8H20Cl2N2O — CID 17376915

IUPAC4-piperazin-1-ylbutan-1-ol;dihydrochloride
SMILESCl.Cl.OCCCCN1CCNCC1
InChIInChI=1S/C8H18N2O.2ClH/c11-8-2-1-5-10-6-3-9-4-7-10;;/h9,11H,1-8H2;2*1H
InChIKeyQATLFLZVCMBWDT-UHFFFAOYSA-N
MW231.17 g/mol
LogP0.51
Rot. Bonds4

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

4-piperazin-1-ylbutan-1-ol;dihydrochloride (PubChem CID 17376915) has the molecular formula C8H20Cl2N2O and a molecular weight of 231.17 g/mol. Its IUPAC name is 4-piperazin-1-ylbutan-1-ol;dihydrochloride.

Molecular Properties

Compound Name4-piperazin-1-ylbutan-1-ol;dihydrochloride
PubChem CID17376915
Molecular FormulaC8H20Cl2N2O
Molecular Weight231.17 g/mol
Exact Mass230.10
IUPAC Name4-piperazin-1-ylbutan-1-ol;dihydrochloride
SMILESCl.Cl.OCCCCN1CCNCC1
InChIInChI=1S/C8H18N2O.2ClH/c11-8-2-1-5-10-6-3-9-4-7-10;;/h9,11H,1-8H2;2*1H
InChIKeyQATLFLZVCMBWDT-UHFFFAOYSA-N
XLogP0.51
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylbutan-1-ol;dihydrochloride?
The IUPAC name of 4-piperazin-1-ylbutan-1-ol;dihydrochloride (CID 17376915) is 4-piperazin-1-ylbutan-1-ol;dihydrochloride.
What is the SMILES notation for 4-piperazin-1-ylbutan-1-ol;dihydrochloride?
The canonical SMILES for 4-piperazin-1-ylbutan-1-ol;dihydrochloride is Cl.Cl.OCCCCN1CCNCC1.
What is the InChIKey of 4-piperazin-1-ylbutan-1-ol;dihydrochloride?
The InChIKey is QATLFLZVCMBWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.2ClH/c11-8-2-1-5-10-6-3-9-4-7-10;;/h9,11H,1-8H2;2*1H.
What are the key properties of 4-piperazin-1-ylbutan-1-ol;dihydrochloride?
4-piperazin-1-ylbutan-1-ol;dihydrochloride has a molecular weight of 231.17 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylbutan-1-ol;dihydrochloride is sourced from PubChem (CID 17376915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).