3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one

C14H27NO2 — CID 114508865

IUPAC3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one
SMILESCCC1CN(CCOCCC(C)C)CCC1=O
InChIInChI=1S/C14H27NO2/c1-4-13-11-15(7-5-14(13)16)8-10-17-9-6-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyMBIURYWNLBSXDM-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds7

About 3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one

3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one (PubChem CID 114508865) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one
PubChem CID114508865
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one
SMILESCCC1CN(CCOCCC(C)C)CCC1=O
InChIInChI=1S/C14H27NO2/c1-4-13-11-15(7-5-14(13)16)8-10-17-9-6-12(2)3/h12-13H,4-11H2,1-3H3
InChIKeyMBIURYWNLBSXDM-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one
CID 114508953
(3R)-3-ethyl-1-(2-methoxyethyl)piperidin-4-one
CID 129380797
3-ethyl-1-(2-hydroxyethyl)piperidin-4-one
CID 114508617
3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid
CID 114509620
3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one
CID 114508829
4-[2-(3-methylbutoxy)ethyl]morpholine-2,6-dione
CID 63788368
3-ethyl-1-(2-hydroxybutyl)piperidin-4-one
CID 114508808
1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one
CID 114509724
3-chloro-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 63386728
methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
CID 114509007
3-bromo-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 80680216
ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
CID 170952585

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one?
The IUPAC name of 3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one (CID 114508865) is 3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one?
The canonical SMILES for 3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one is CCC1CN(CCOCCC(C)C)CCC1=O.
What is the InChIKey of 3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one?
The InChIKey is MBIURYWNLBSXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-13-11-15(7-5-14(13)16)8-10-17-9-6-12(2)3/h12-13H,4-11H2,1-3H3.
What are the key properties of 3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one?
3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one has a molecular weight of 241.37 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one is sourced from PubChem (CID 114508865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).