1-piperazin-1-ylbutan-1-one;dihydrochloride

C8H18Cl2N2O — CID 154814567

IUPAC1-piperazin-1-ylbutan-1-one;dihydrochloride
SMILESCCCC(=O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C8H16N2O.2ClH/c1-2-3-8(11)10-6-4-9-5-7-10;;/h9H,2-7H2,1H3;2*1H
InChIKeyYODLBSRPXPWXPF-UHFFFAOYSA-N
MW229.15 g/mol
LogP1.06
Rot. Bonds2

About 1-piperazin-1-ylbutan-1-one;dihydrochloride

1-piperazin-1-ylbutan-1-one;dihydrochloride (PubChem CID 154814567) has the molecular formula C8H18Cl2N2O and a molecular weight of 229.15 g/mol. Its IUPAC name is 1-piperazin-1-ylbutan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-piperazin-1-ylbutan-1-one;dihydrochloride
PubChem CID154814567
Molecular FormulaC8H18Cl2N2O
Molecular Weight229.15 g/mol
Exact Mass228.08
IUPAC Name1-piperazin-1-ylbutan-1-one;dihydrochloride
SMILESCCCC(=O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C8H16N2O.2ClH/c1-2-3-8(11)10-6-4-9-5-7-10;;/h9H,2-7H2,1H3;2*1H
InChIKeyYODLBSRPXPWXPF-UHFFFAOYSA-N
XLogP1.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylbutan-1-one;dihydrochloride?
The IUPAC name of 1-piperazin-1-ylbutan-1-one;dihydrochloride (CID 154814567) is 1-piperazin-1-ylbutan-1-one;dihydrochloride.
What is the SMILES notation for 1-piperazin-1-ylbutan-1-one;dihydrochloride?
The canonical SMILES for 1-piperazin-1-ylbutan-1-one;dihydrochloride is CCCC(=O)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-piperazin-1-ylbutan-1-one;dihydrochloride?
The InChIKey is YODLBSRPXPWXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.2ClH/c1-2-3-8(11)10-6-4-9-5-7-10;;/h9H,2-7H2,1H3;2*1H.
What are the key properties of 1-piperazin-1-ylbutan-1-one;dihydrochloride?
1-piperazin-1-ylbutan-1-one;dihydrochloride has a molecular weight of 229.15 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylbutan-1-one;dihydrochloride is sourced from PubChem (CID 154814567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).