2-ethoxyethyl 2-piperidin-3-ylacetate

C11H21NO3 — CID 62690313

IUPAC2-ethoxyethyl 2-piperidin-3-ylacetate
SMILESCCOCCOC(=O)CC1CCCNC1
InChIInChI=1S/C11H21NO3/c1-2-14-6-7-15-11(13)8-10-4-3-5-12-9-10/h10,12H,2-9H2,1H3
InChIKeyIRHVHMZRCIENIR-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.96
Rot. Bonds6

About 2-ethoxyethyl 2-piperidin-3-ylacetate

2-ethoxyethyl 2-piperidin-3-ylacetate (PubChem CID 62690313) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-ethoxyethyl 2-piperidin-3-ylacetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-piperidin-3-ylacetate
PubChem CID62690313
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-ethoxyethyl 2-piperidin-3-ylacetate
SMILESCCOCCOC(=O)CC1CCCNC1
InChIInChI=1S/C11H21NO3/c1-2-14-6-7-15-11(13)8-10-4-3-5-12-9-10/h10,12H,2-9H2,1H3
InChIKeyIRHVHMZRCIENIR-UHFFFAOYSA-N
XLogP0.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.96
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

2-propoxyethyl 2-piperidin-3-ylacetate
CID 63686889
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
ethyl 2-(azocan-5-yl)acetate
CID 123423074
N-(2-ethoxyethyl)-2-piperidin-3-ylacetamide
CID 62689521
3-[2-(2-ethoxyethoxy)ethyl]piperidine;hydrochloride
CID 56829882
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
ethyl 2-(piperidin-3-ylmethylamino)acetate
CID 80554026
2,2,2-trifluoroethyl 2-piperidin-3-ylacetate
CID 102548856
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
butan-2-yl 2-piperidin-3-ylacetate
CID 62690309
ethyl 6-(piperidin-3-ylmethoxy)hexanoate
CID 83212380

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-piperidin-3-ylacetate?
The IUPAC name of 2-ethoxyethyl 2-piperidin-3-ylacetate (CID 62690313) is 2-ethoxyethyl 2-piperidin-3-ylacetate.
What is the SMILES notation for 2-ethoxyethyl 2-piperidin-3-ylacetate?
The canonical SMILES for 2-ethoxyethyl 2-piperidin-3-ylacetate is CCOCCOC(=O)CC1CCCNC1.
What is the InChIKey of 2-ethoxyethyl 2-piperidin-3-ylacetate?
The InChIKey is IRHVHMZRCIENIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-14-6-7-15-11(13)8-10-4-3-5-12-9-10/h10,12H,2-9H2,1H3.
What are the key properties of 2-ethoxyethyl 2-piperidin-3-ylacetate?
2-ethoxyethyl 2-piperidin-3-ylacetate has a molecular weight of 215.29 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-piperidin-3-ylacetate is sourced from PubChem (CID 62690313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).