1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one

C11H22N2O2 — CID 18714916

IUPAC1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CCCCO)CC1
InChIInChI=1S/C11H22N2O2/c1-2-11(15)13-8-6-12(7-9-13)5-3-4-10-14/h14H,2-10H2,1H3
InChIKeyCQQPUUVJZOWLIG-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.31
Rot. Bonds5

About 1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one

1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one (PubChem CID 18714916) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
PubChem CID18714916
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CCCCO)CC1
InChIInChI=1S/C11H22N2O2/c1-2-11(15)13-8-6-12(7-9-13)5-3-4-10-14/h14H,2-10H2,1H3
InChIKeyCQQPUUVJZOWLIG-UHFFFAOYSA-N
XLogP0.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
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 1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one (CID 18714916) is 1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(CCCCO)CC1.
What is the InChIKey of 1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one?
The InChIKey is CQQPUUVJZOWLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-11(15)13-8-6-12(7-9-13)5-3-4-10-14/h14H,2-10H2,1H3.
What are the key properties of 1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one?
1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 18714916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).