1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone

C12H25N3O2 — CID 60712478

IUPAC1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-4-17-11-12(16)15-9-7-14(8-10-15)6-5-13(2)3/h4-11H2,1-3H3
InChIKeyJCHMGQUECAMMCK-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.27
Rot. Bonds6

About 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone

1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone (PubChem CID 60712478) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone
PubChem CID60712478
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCN(CCN(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-4-17-11-12(16)15-9-7-14(8-10-15)6-5-13(2)3/h4-11H2,1-3H3
InChIKeyJCHMGQUECAMMCK-UHFFFAOYSA-N
XLogP-0.27
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone
CID 60708281
2-ethoxy-1-[4-(2-fluoroethyl)piperazin-1-yl]ethanone
CID 119104737
1-[4-(4-aminobutyl)piperazin-1-yl]-2-ethoxyethanone
CID 43251793
1-[4-(2-chloroethyl)-1,4-diazepan-1-yl]-2-ethoxyethanone
CID 63394368
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-ethoxyethanone
CID 43251389
3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 64679136
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
1-(4-tert-butylpiperazin-1-yl)-2-ethoxyethanone
CID 61074490
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-(methylamino)butan-1-one
CID 62890166
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 62935451
7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one
CID 62888089

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone?
The IUPAC name of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone (CID 60712478) is 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone is CCOCC(=O)N1CCN(CCN(C)C)CC1.
What is the InChIKey of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone?
The InChIKey is JCHMGQUECAMMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-17-11-12(16)15-9-7-14(8-10-15)6-5-13(2)3/h4-11H2,1-3H3.
What are the key properties of 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone?
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone has a molecular weight of 243.35 g/mol, XLogP of -0.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethoxyethanone is sourced from PubChem (CID 60712478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).