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

C12H24N2O2 — CID 54003684

IUPAC1-[4-(4-hydroxybutyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(CCCCO)CC1
InChIInChI=1S/C12H24N2O2/c1-2-5-12(16)14-9-7-13(8-10-14)6-3-4-11-15/h15H,2-11H2,1H3
InChIKeyWTAZWRAHZAXWRF-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.70
Rot. Bonds6

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

1-[4-(4-hydroxybutyl)piperazin-1-yl]butan-1-one (PubChem CID 54003684) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[4-(4-hydroxybutyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(4-hydroxybutyl)piperazin-1-yl]butan-1-one
PubChem CID54003684
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[4-(4-hydroxybutyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(CCCCO)CC1
InChIInChI=1S/C12H24N2O2/c1-2-5-12(16)14-9-7-13(8-10-14)6-3-4-11-15/h15H,2-11H2,1H3
InChIKeyWTAZWRAHZAXWRF-UHFFFAOYSA-N
XLogP0.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.70
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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Related Compounds

3-Hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one
CID 19867648
Piperidine, 1-(4-hydroxy-1-oxobutyl)-
CID 10374863
1-(2-Hydroxyethyl) 4-(1-oxobutyl)-piperazine
CID 15838679
1-[4-(2-Hydroxypropyl)piperazin-1-yl]-4-methoxybutan-1-one
CID 53619385
1-(4-(3-Hydroxypropyl)piperazin-1-yl)-2,2-dimethylpropan-1-one
CID 60499068
4-Hydroxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
CID 79204425
3,3,3-Trifluoro-1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
CID 110931769
3-(2-Hydroxyethyl)-1,4-dimethylpiperazine-2,5-dione
CID 13093448
N-[2-(diethylamino)ethyl]-4-hydroxy-N-methylbutanamide
CID 10036271
1-(4-(3-Hydroxypropyl)piperazin-1-yl)ethan-1-one
CID 11446771
N,N-diethyl-4-hydroxybutanamide
CID 13088423
3-(2-Hydroxyethyl)-1,4-dimethyl-2-piperazinone
CID 13376739

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxybutyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(4-hydroxybutyl)piperazin-1-yl]butan-1-one (CID 54003684) is 1-[4-(4-hydroxybutyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(4-hydroxybutyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(4-hydroxybutyl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(CCCCO)CC1.
What is the InChIKey of 1-[4-(4-hydroxybutyl)piperazin-1-yl]butan-1-one?
The InChIKey is WTAZWRAHZAXWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-5-12(16)14-9-7-13(8-10-14)6-3-4-11-15/h15H,2-11H2,1H3.
What are the key properties of 1-[4-(4-hydroxybutyl)piperazin-1-yl]butan-1-one?
1-[4-(4-hydroxybutyl)piperazin-1-yl]butan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.70, 6 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]butan-1-one is sourced from PubChem (CID 54003684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).