ethyl 3-piperidin-3-ylpropanoate

C10H19NO2 — CID 21186558

IUPACethyl 3-piperidin-3-ylpropanoate
SMILESCCOC(=O)CCC1CCCNC1
InChIInChI=1S/C10H19NO2/c1-2-13-10(12)6-5-9-4-3-7-11-8-9/h9,11H,2-8H2,1H3
InChIKeyDPBSXYRJZFUOIL-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds4

About ethyl 3-piperidin-3-ylpropanoate

ethyl 3-piperidin-3-ylpropanoate (PubChem CID 21186558) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 3-piperidin-3-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-piperidin-3-ylpropanoate
PubChem CID21186558
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 3-piperidin-3-ylpropanoate
SMILESCCOC(=O)CCC1CCCNC1
InChIInChI=1S/C10H19NO2/c1-2-13-10(12)6-5-9-4-3-7-11-8-9/h9,11H,2-8H2,1H3
InChIKeyDPBSXYRJZFUOIL-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-piperidin-3-ylpropanoate?
The IUPAC name of ethyl 3-piperidin-3-ylpropanoate (CID 21186558) is ethyl 3-piperidin-3-ylpropanoate.
What is the SMILES notation for ethyl 3-piperidin-3-ylpropanoate?
The canonical SMILES for ethyl 3-piperidin-3-ylpropanoate is CCOC(=O)CCC1CCCNC1.
What is the InChIKey of ethyl 3-piperidin-3-ylpropanoate?
The InChIKey is DPBSXYRJZFUOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-13-10(12)6-5-9-4-3-7-11-8-9/h9,11H,2-8H2,1H3.
What are the key properties of ethyl 3-piperidin-3-ylpropanoate?
ethyl 3-piperidin-3-ylpropanoate has a molecular weight of 185.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-piperidin-3-ylpropanoate is sourced from PubChem (CID 21186558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).