4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one

C12H25N3O2 — CID 119843365

IUPAC4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one
SMILESCCOCCN1CCN(C(=O)CCCN)CC1
InChIInChI=1S/C12H25N3O2/c1-2-17-11-10-14-6-8-15(9-7-14)12(16)4-3-5-13/h2-11,13H2,1H3
InChIKeyHXRNEBHIJAMQKH-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.09
Rot. Bonds7

About 4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one

4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one (PubChem CID 119843365) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one
PubChem CID119843365
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one
SMILESCCOCCN1CCN(C(=O)CCCN)CC1
InChIInChI=1S/C12H25N3O2/c1-2-17-11-10-14-6-8-15(9-7-14)12(16)4-3-5-13/h2-11,13H2,1H3
InChIKeyHXRNEBHIJAMQKH-UHFFFAOYSA-N
XLogP-0.09
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.09
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

1-[4-(4-aminobutyl)piperazin-1-yl]-2-ethoxyethanone
CID 43251793
1-[4-(3-aminopropyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 62588731
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-ethoxyethanone
CID 43251389
4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one
CID 54872251
5-[4-(3-ethoxypropyl)piperazin-1-yl]pentan-1-amine
CID 65176138
3-[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]propan-1-amine
CID 43457106
1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]butan-1-one
CID 43251859
1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704458
1-[4-(5-aminopentyl)-1,4-diazepan-1-yl]hexan-1-one
CID 43252098
4-amino-1-[4-(2-phenoxyethyl)piperazin-1-yl]butan-1-one
CID 119833017
1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one
CID 65449474
(2S)-2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]propan-1-one
CID 129393995

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one (CID 119843365) is 4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one is CCOCCN1CCN(C(=O)CCCN)CC1.
What is the InChIKey of 4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one?
The InChIKey is HXRNEBHIJAMQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-2-17-11-10-14-6-8-15(9-7-14)12(16)4-3-5-13/h2-11,13H2,1H3.
What are the key properties of 4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one?
4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one has a molecular weight of 243.35 g/mol, XLogP of -0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 119843365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).