4-[3-[2-(methylamino)ethoxy]piperidin-1-yl]butan-2-one

C12H24N2O2 — CID 167558565

IUPAC4-[3-[2-(methylamino)ethoxy]piperidin-1-yl]butan-2-one
SMILESCNCCOC1CCCN(CCC(C)=O)C1
InChIInChI=1S/C12H24N2O2/c1-11(15)5-8-14-7-3-4-12(10-14)16-9-6-13-2/h12-13H,3-10H2,1-2H3
InChIKeyMOXATLUKXFJZLR-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.67
Rot. Bonds7

About 4-[3-[2-(methylamino)ethoxy]piperidin-1-yl]butan-2-one

4-[3-[2-(methylamino)ethoxy]piperidin-1-yl]butan-2-one (PubChem CID 167558565) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[3-[2-(methylamino)ethoxy]piperidin-1-yl]butan-2-one.

Molecular Properties

Compound Name4-[3-[2-(methylamino)ethoxy]piperidin-1-yl]butan-2-one
PubChem CID167558565
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[3-[2-(methylamino)ethoxy]piperidin-1-yl]butan-2-one
SMILESCNCCOC1CCCN(CCC(C)=O)C1
InChIInChI=1S/C12H24N2O2/c1-11(15)5-8-14-7-3-4-12(10-14)16-9-6-13-2/h12-13H,3-10H2,1-2H3
InChIKeyMOXATLUKXFJZLR-UHFFFAOYSA-N
XLogP0.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.67
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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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(methylamino)ethoxy]piperidin-1-yl]butan-2-one?
The IUPAC name of 4-[3-[2-(methylamino)ethoxy]piperidin-1-yl]butan-2-one (CID 167558565) is 4-[3-[2-(methylamino)ethoxy]piperidin-1-yl]butan-2-one.
What is the SMILES notation for 4-[3-[2-(methylamino)ethoxy]piperidin-1-yl]butan-2-one?
The canonical SMILES for 4-[3-[2-(methylamino)ethoxy]piperidin-1-yl]butan-2-one is CNCCOC1CCCN(CCC(C)=O)C1.
What is the InChIKey of 4-[3-[2-(methylamino)ethoxy]piperidin-1-yl]butan-2-one?
The InChIKey is MOXATLUKXFJZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(15)5-8-14-7-3-4-12(10-14)16-9-6-13-2/h12-13H,3-10H2,1-2H3.
What are the key properties of 4-[3-[2-(methylamino)ethoxy]piperidin-1-yl]butan-2-one?
4-[3-[2-(methylamino)ethoxy]piperidin-1-yl]butan-2-one has a molecular weight of 228.34 g/mol, XLogP of 0.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(methylamino)ethoxy]piperidin-1-yl]butan-2-one is sourced from PubChem (CID 167558565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).