5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one

C12H24N2O2 — CID 79355454

IUPAC5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one
SMILESCCCCOCCN1CC(N)C(C)CC1=O
InChIInChI=1S/C12H24N2O2/c1-3-4-6-16-7-5-14-9-11(13)10(2)8-12(14)15/h10-11H,3-9,13H2,1-2H3
InChIKeyJJOGPAIPRQMNRG-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds6

About 5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one

5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one (PubChem CID 79355454) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one
PubChem CID79355454
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one
SMILESCCCCOCCN1CC(N)C(C)CC1=O
InChIInChI=1S/C12H24N2O2/c1-3-4-6-16-7-5-14-9-11(13)10(2)8-12(14)15/h10-11H,3-9,13H2,1-2H3
InChIKeyJJOGPAIPRQMNRG-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-(3-ethylsulfonylpropyl)-4-methylpiperidin-2-one
CID 79355040
5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one
CID 79355239
5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 79354825
1-(2-butoxyethyl)pyrrolidine-2,4-dione
CID 79517282
3-(2-butoxyethyl)-5-methylimidazolidin-4-one
CID 83253163
2-(5-amino-4-methyl-2-oxopiperidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 79355664
1-(2-butoxyethyl)azetidin-3-amine
CID 63760521
4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 168687507
1-(2-butoxyethyl)-3-methylpiperazin-2-one
CID 63601407
1-(2-methoxyethyl)-4-methylpyrrolidin-2-one
CID 89120787
1-(2-butoxyethyl)-7-methyl-1,4-diazepane-2,5-dione
CID 64883186
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168696255

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one?
The IUPAC name of 5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one (CID 79355454) is 5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one.
What is the SMILES notation for 5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one?
The canonical SMILES for 5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one is CCCCOCCN1CC(N)C(C)CC1=O.
What is the InChIKey of 5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one?
The InChIKey is JJOGPAIPRQMNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-6-16-7-5-14-9-11(13)10(2)8-12(14)15/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one?
5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one has a molecular weight of 228.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-butoxyethyl)-4-methylpiperidin-2-one is sourced from PubChem (CID 79355454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).