2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one

C11H23N3O2 — CID 82041151

IUPAC2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCCN(CCO)C(C)C(=O)N1CCNCC1
InChIInChI=1S/C11H23N3O2/c1-3-13(8-9-15)10(2)11(16)14-6-4-12-5-7-14/h10,12,15H,3-9H2,1-2H3
InChIKeyYBULJDXJYNOWNC-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.88
Rot. Bonds5

About 2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one

2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one (PubChem CID 82041151) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one
PubChem CID82041151
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCCN(CCO)C(C)C(=O)N1CCNCC1
InChIInChI=1S/C11H23N3O2/c1-3-13(8-9-15)10(2)11(16)14-6-4-12-5-7-14/h10,12,15H,3-9H2,1-2H3
InChIKeyYBULJDXJYNOWNC-UHFFFAOYSA-N
XLogP-0.88
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438
2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283
2-[cyclopropylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61441341
2-[3-aminopropyl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43137255
3-[[1-(azepan-1-yl)-1-oxopropan-2-yl]-ethylamino]propanoic acid
CID 61010652
2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43423493
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 107485176
2-[piperidin-4-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 79714399
2-[3-aminopropyl(ethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 43137254
2-[ethyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide
CID 60686110
2-[bis(2-chloroethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 3064207
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61441971

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one (CID 82041151) is 2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one is CCN(CCO)C(C)C(=O)N1CCNCC1.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is YBULJDXJYNOWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-13(8-9-15)10(2)11(16)14-6-4-12-5-7-14/h10,12,15H,3-9H2,1-2H3.
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one?
2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 229.32 g/mol, XLogP of -0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82041151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).