2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone

C11H23N3O2 — CID 79463496

IUPAC2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(C(=O)COCCN)CC1
InChIInChI=1S/C11H23N3O2/c1-2-4-13-5-7-14(8-6-13)11(15)10-16-9-3-12/h2-10,12H2,1H3
InChIKeyPFZWEMFMOUNOHO-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.48
Rot. Bonds6

About 2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone

2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone (PubChem CID 79463496) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone
PubChem CID79463496
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(C(=O)COCCN)CC1
InChIInChI=1S/C11H23N3O2/c1-2-4-13-5-7-14(8-6-13)11(15)10-16-9-3-12/h2-10,12H2,1H3
InChIKeyPFZWEMFMOUNOHO-UHFFFAOYSA-N
XLogP-0.48
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.48
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

2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone
CID 60708281
3-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]propanoic acid
CID 79473010
1-[4-(4-aminobutyl)piperazin-1-yl]-2-ethoxyethanone
CID 43251793
1-[4-[2-(2-aminoethoxy)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 79473074
ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone
CID 119104737
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-ethoxyethanone
CID 43251389
1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 89072510
2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone
CID 79473510
4-propylpiperazine-1-carboxamide
CID 16792615
4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one
CID 119843365
1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one
CID 178000242

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone (CID 79463496) is 2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone is CCCN1CCN(C(=O)COCCN)CC1.
What is the InChIKey of 2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone?
The InChIKey is PFZWEMFMOUNOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-4-13-5-7-14(8-6-13)11(15)10-16-9-3-12/h2-10,12H2,1H3.
What are the key properties of 2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone?
2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone has a molecular weight of 229.32 g/mol, XLogP of -0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-(4-propylpiperazin-1-yl)ethanone is sourced from PubChem (CID 79463496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).