1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one

C12H24N2O3 — CID 24702682

IUPAC1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one
SMILESCC(C)OCCOC(C)C(=O)N1CCNCC1
InChIInChI=1S/C12H24N2O3/c1-10(2)16-8-9-17-11(3)12(15)14-6-4-13-5-7-14/h10-11,13H,4-9H2,1-3H3
InChIKeyMALYJWAQQQXYQQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.25
Rot. Bonds6

About 1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one

1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one (PubChem CID 24702682) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one
PubChem CID24702682
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one
SMILESCC(C)OCCOC(C)C(=O)N1CCNCC1
InChIInChI=1S/C12H24N2O3/c1-10(2)16-8-9-17-11(3)12(15)14-6-4-13-5-7-14/h10-11,13H,4-9H2,1-3H3
InChIKeyMALYJWAQQQXYQQ-UHFFFAOYSA-N
XLogP0.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-methoxy-2-methyl-1-piperazin-1-ylpropan-1-one
CID 96682051
2-(2-methylbutan-2-yloxy)-1-piperazin-1-ylpropan-1-one
CID 43128287
2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119578968
1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
CID 170569689
2-butoxy-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119580184
2-cyclohexyloxy-1-piperazin-1-ylpropan-1-one
CID 82511384
2-octan-2-yloxy-1-piperazin-1-ylpropan-1-one
CID 43128277
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
1-piperazin-1-yl-2-piperidin-4-ylbutan-1-one
CID 70596014
ethane;propan-2-yl piperazine-1-carboxylate
CID 142145252
(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one
CID 59979591
2-ethoxy-3-oxo-3-piperazin-1-ylpropanal
CID 173294879

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one?
The IUPAC name of 1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one (CID 24702682) is 1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one.
What is the SMILES notation for 1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one?
The canonical SMILES for 1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one is CC(C)OCCOC(C)C(=O)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one?
The InChIKey is MALYJWAQQQXYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(2)16-8-9-17-11(3)12(15)14-6-4-13-5-7-14/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one?
1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one has a molecular weight of 244.33 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one is sourced from PubChem (CID 24702682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).