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

C11H21NO3 — CID 103179796

IUPAC1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one
SMILESCOCCCOCCN1CCC(=O)CC1
InChIInChI=1S/C11H21NO3/c1-14-8-2-9-15-10-7-12-5-3-11(13)4-6-12/h2-10H2,1H3
InChIKeyPXLLEGOLAKNWPC-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.70
Rot. Bonds7

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

1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one (PubChem CID 103179796) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one
PubChem CID103179796
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one
SMILESCOCCCOCCN1CCC(=O)CC1
InChIInChI=1S/C11H21NO3/c1-14-8-2-9-15-10-7-12-5-3-11(13)4-6-12/h2-10H2,1H3
InChIKeyPXLLEGOLAKNWPC-UHFFFAOYSA-N
XLogP0.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.70
H-Bond Donors ≤ 50
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-butoxybutyl)piperidin-4-one
CID 70278532
1-(5-butoxypentyl)piperidin-4-one
CID 18001872
1-(5-propoxypentyl)piperidin-4-one
CID 70277123
1-(6-butoxyhexyl)piperidin-4-one
CID 70277022
1-(2-ethoxyethyl)piperidin-4-one
CID 15410842
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine
CID 142390245
3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine
CID 103178059
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
1,4-bis(2-methoxyethoxy)butane;1,4-bis(2-methoxyethyl)piperazine;1,4-dimethylpiperazine;1-(4-methoxybutyl)-4-methylpiperazine;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;1-[3-(2-methoxyethoxy)propyl]-4-methylpiperazine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(6-methoxyhexyl)-4-methylpiperazine);1-methoxy-5-(4-methoxybutoxy)pentane;1-methoxy-4-[2-(2-methoxyethoxy)ethoxy]butane;1-methoxy-7-(2-methoxyethoxy)heptane;1-methoxy-6-(3-methoxypropoxy)hexane;1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperazine;1-(3-methoxypropyl)-4-methylpiperazine;1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 158374038
1-(2-chloroethyl)-4-[2-(3-methoxypropoxy)ethyl]-1,4-diazepane
CID 103183952
1,4-bis(2-methoxyethyl)piperazine;1,4-dimethylpiperazine;1-(4-methoxybutyl)-4-methylpiperazine;1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperazine;1-[3-(2-methoxyethoxy)propyl]-4-methylpiperazine;1-(2-methoxyethyl)-4-methylpiperazine;bis(1-(6-methoxyhexyl)-4-methylpiperazine);1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperazine;1-(3-methoxypropyl)-4-methylpiperazine;1-methyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]piperazine
CID 158627962

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one?
The IUPAC name of 1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one (CID 103179796) is 1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one?
The canonical SMILES for 1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one is COCCCOCCN1CCC(=O)CC1.
What is the InChIKey of 1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one?
The InChIKey is PXLLEGOLAKNWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-14-8-2-9-15-10-7-12-5-3-11(13)4-6-12/h2-10H2,1H3.
What are the key properties of 1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one?
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one has a molecular weight of 215.29 g/mol, XLogP of 0.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropoxy)ethyl]piperidin-4-one is sourced from PubChem (CID 103179796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).