ethyl 3-piperidin-2-ylpentanoate

C12H23NO2 — CID 67315004

IUPACethyl 3-piperidin-2-ylpentanoate
SMILESCCOC(=O)CC(CC)C1CCCCN1
InChIInChI=1S/C12H23NO2/c1-3-10(9-12(14)15-4-2)11-7-5-6-8-13-11/h10-11,13H,3-9H2,1-2H3
InChIKeyJEJQMLKVPLPAJV-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds5

About ethyl 3-piperidin-2-ylpentanoate

ethyl 3-piperidin-2-ylpentanoate (PubChem CID 67315004) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 3-piperidin-2-ylpentanoate.

Molecular Properties

Compound Nameethyl 3-piperidin-2-ylpentanoate
PubChem CID67315004
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 3-piperidin-2-ylpentanoate
SMILESCCOC(=O)CC(CC)C1CCCCN1
InChIInChI=1S/C12H23NO2/c1-3-10(9-12(14)15-4-2)11-7-5-6-8-13-11/h10-11,13H,3-9H2,1-2H3
InChIKeyJEJQMLKVPLPAJV-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-piperidin-2-ylpentanoate?
The IUPAC name of ethyl 3-piperidin-2-ylpentanoate (CID 67315004) is ethyl 3-piperidin-2-ylpentanoate.
What is the SMILES notation for ethyl 3-piperidin-2-ylpentanoate?
The canonical SMILES for ethyl 3-piperidin-2-ylpentanoate is CCOC(=O)CC(CC)C1CCCCN1.
What is the InChIKey of ethyl 3-piperidin-2-ylpentanoate?
The InChIKey is JEJQMLKVPLPAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-10(9-12(14)15-4-2)11-7-5-6-8-13-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of ethyl 3-piperidin-2-ylpentanoate?
ethyl 3-piperidin-2-ylpentanoate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-piperidin-2-ylpentanoate is sourced from PubChem (CID 67315004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).