1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one

C12H24N2O2 — CID 79191284

IUPAC1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one
SMILESCC(C)(C)N1CCN(C(=O)CCCO)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)14-8-6-13(7-9-14)11(16)5-4-10-15/h15H,4-10H2,1-3H3
InChIKeyVWKUAPRKFBXKQB-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.70
Rot. Bonds3

About 1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one

1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one (PubChem CID 79191284) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one.

Molecular Properties

Compound Name1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one
PubChem CID79191284
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one
SMILESCC(C)(C)N1CCN(C(=O)CCCO)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)14-8-6-13(7-9-14)11(16)5-4-10-15/h15H,4-10H2,1-3H3
InChIKeyVWKUAPRKFBXKQB-UHFFFAOYSA-N
XLogP0.70
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

1-(4-tert-butylpiperazin-1-yl)pentane-1,4-dione
CID 65416769
1-(4-tert-butylpiperazin-1-yl)-6,6-dimethylheptan-1-one
CID 126654356
1-(4-tert-butylpiperazin-1-yl)-5-chloropentan-1-one
CID 61430483
3-(tert-butylamino)-1-(4-tert-butylpiperazin-1-yl)propan-1-one
CID 61430295
2-bromo-1-(4-tert-butylpiperazin-1-yl)ethanone
CID 63680684
1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone
CID 61074490
1-(4-tert-butylpiperazin-1-yl)ethanone
CID 20580594
4-(4-hydroxybutanoyl)piperazine-1-sulfonamide
CID 79191251
4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide
CID 58525046
1-[4,7,10,13,16-penta(pentanoyl)-1,4,7,10,13,16-hexazacyclooctadec-1-yl]pentan-1-one
CID 603333
2-methyl-2-(4-pentanoylpiperazin-1-yl)propanethioamide
CID 63343731
2-[4-(4-hydroxybutanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 79204679

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one?
The IUPAC name of 1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one (CID 79191284) is 1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one.
What is the SMILES notation for 1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one?
The canonical SMILES for 1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one is CC(C)(C)N1CCN(C(=O)CCCO)CC1.
What is the InChIKey of 1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one?
The InChIKey is VWKUAPRKFBXKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)14-8-6-13(7-9-14)11(16)5-4-10-15/h15H,4-10H2,1-3H3.
What are the key properties of 1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one?
1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperazin-1-yl)-4-hydroxybutan-1-one is sourced from PubChem (CID 79191284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).