ethyl 3-(piperidin-4-ylmethoxy)propanoate

C11H21NO3 — CID 83212316

IUPACethyl 3-(piperidin-4-ylmethoxy)propanoate
SMILESCCOC(=O)CCOCC1CCNCC1
InChIInChI=1S/C11H21NO3/c1-2-15-11(13)5-8-14-9-10-3-6-12-7-4-10/h10,12H,2-9H2,1H3
InChIKeyFLGIQUCBHKQJJZ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.96
Rot. Bonds6

About ethyl 3-(piperidin-4-ylmethoxy)propanoate

ethyl 3-(piperidin-4-ylmethoxy)propanoate (PubChem CID 83212316) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 3-(piperidin-4-ylmethoxy)propanoate.

Molecular Properties

Compound Nameethyl 3-(piperidin-4-ylmethoxy)propanoate
PubChem CID83212316
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 3-(piperidin-4-ylmethoxy)propanoate
SMILESCCOC(=O)CCOCC1CCNCC1
InChIInChI=1S/C11H21NO3/c1-2-15-11(13)5-8-14-9-10-3-6-12-7-4-10/h10,12H,2-9H2,1H3
InChIKeyFLGIQUCBHKQJJZ-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

ethyl 4-(piperidin-4-ylmethoxy)butanoate
CID 71077908
acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate
CID 131719663
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
ethyl 4-piperidin-4-ylbutanoate
CID 10631848
ethyl 3-(piperidin-4-ylmethylamino)propanoate
CID 79707943
ethyl 3-(azepan-4-yl)propanoate;hydrochloride
CID 126845771
ethyl 6-(piperidin-3-ylmethoxy)hexanoate
CID 83212380
2-piperidin-4-ylethyl butanoate
CID 174737441
butyl 3-(cyclohexylmethoxy)propanoate
CID 129141533
3-[[4-(ethoxymethyl)cyclohexyl]methoxy]propanamide
CID 167464642
N,N-diethyl-2-(piperidin-4-ylmethoxy)acetamide
CID 39062933
2-piperidin-4-ylethyl propanoate
CID 53408774

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(piperidin-4-ylmethoxy)propanoate?
The IUPAC name of ethyl 3-(piperidin-4-ylmethoxy)propanoate (CID 83212316) is ethyl 3-(piperidin-4-ylmethoxy)propanoate.
What is the SMILES notation for ethyl 3-(piperidin-4-ylmethoxy)propanoate?
The canonical SMILES for ethyl 3-(piperidin-4-ylmethoxy)propanoate is CCOC(=O)CCOCC1CCNCC1.
What is the InChIKey of ethyl 3-(piperidin-4-ylmethoxy)propanoate?
The InChIKey is FLGIQUCBHKQJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-15-11(13)5-8-14-9-10-3-6-12-7-4-10/h10,12H,2-9H2,1H3.
What are the key properties of ethyl 3-(piperidin-4-ylmethoxy)propanoate?
ethyl 3-(piperidin-4-ylmethoxy)propanoate 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 ethyl 3-(piperidin-4-ylmethoxy)propanoate is sourced from PubChem (CID 83212316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).