ethyl 3-(piperidin-4-ylmethylamino)propanoate

C11H22N2O2 — CID 79707943

IUPACethyl 3-(piperidin-4-ylmethylamino)propanoate
SMILESCCOC(=O)CCNCC1CCNCC1
InChIInChI=1S/C11H22N2O2/c1-2-15-11(14)5-8-13-9-10-3-6-12-7-4-10/h10,12-13H,2-9H2,1H3
InChIKeyHZIIWLFJAFNWHE-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.53
Rot. Bonds6

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

ethyl 3-(piperidin-4-ylmethylamino)propanoate (PubChem CID 79707943) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl 3-(piperidin-4-ylmethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(piperidin-4-ylmethylamino)propanoate
PubChem CID79707943
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl 3-(piperidin-4-ylmethylamino)propanoate
SMILESCCOC(=O)CCNCC1CCNCC1
InChIInChI=1S/C11H22N2O2/c1-2-15-11(14)5-8-13-9-10-3-6-12-7-4-10/h10,12-13H,2-9H2,1H3
InChIKeyHZIIWLFJAFNWHE-UHFFFAOYSA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(4-ethylcyclohexyl)methylamino]propanoate
CID 54880898
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
ethyl 4-piperidin-4-ylbutanoate
CID 10631848
ethyl 3-(piperidin-4-ylmethoxy)propanoate
CID 83212316
ethyl 2-[[(3S)-pyrrolidin-3-yl]methylamino]acetate;dihydrochloride
CID 86598225
ethyl 3-(azepan-4-yl)propanoate;hydrochloride
CID 126845771
ethyl 4-(piperidin-4-ylmethoxy)butanoate
CID 71077908
ethyl 3-(2-piperazin-1-ylethylamino)propanoate
CID 54544450
N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 83962890
ethyl 3-(2-cyclohexylethylamino)propanoate
CID 60920953
ethyl 2-(azocan-5-yl)acetate
CID 123423074
ethyl 4-(azepan-4-ylamino)butanoate
CID 103982256

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(piperidin-4-ylmethylamino)propanoate?
The IUPAC name of ethyl 3-(piperidin-4-ylmethylamino)propanoate (CID 79707943) is ethyl 3-(piperidin-4-ylmethylamino)propanoate.
What is the SMILES notation for ethyl 3-(piperidin-4-ylmethylamino)propanoate?
The canonical SMILES for ethyl 3-(piperidin-4-ylmethylamino)propanoate is CCOC(=O)CCNCC1CCNCC1.
What is the InChIKey of ethyl 3-(piperidin-4-ylmethylamino)propanoate?
The InChIKey is HZIIWLFJAFNWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-15-11(14)5-8-13-9-10-3-6-12-7-4-10/h10,12-13H,2-9H2,1H3.
What are the key properties of ethyl 3-(piperidin-4-ylmethylamino)propanoate?
ethyl 3-(piperidin-4-ylmethylamino)propanoate has a molecular weight of 214.31 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(piperidin-4-ylmethylamino)propanoate is sourced from PubChem (CID 79707943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).