ethyl 2-piperidin-1-ylacetate

C9H17NO2 — CID 643466

IUPACethyl 2-piperidin-1-ylacetate
SMILESCCOC(=O)CN1CCCCC1
InChIInChI=1S/C9H17NO2/c1-2-12-9(11)8-10-6-4-3-5-7-10/h2-8H2,1H3
InChIKeyLXZHLNWWDDNIOJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.04
Rot. Bonds3

About ethyl 2-piperidin-1-ylacetate

ethyl 2-piperidin-1-ylacetate (PubChem CID 643466) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 2-piperidin-1-ylacetate.

Molecular Properties

Compound Nameethyl 2-piperidin-1-ylacetate
PubChem CID643466
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 2-piperidin-1-ylacetate
SMILESCCOC(=O)CN1CCCCC1
InChIInChI=1S/C9H17NO2/c1-2-12-9(11)8-10-6-4-3-5-7-10/h2-8H2,1H3
InChIKeyLXZHLNWWDDNIOJ-UHFFFAOYSA-N
XLogP1.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperidin-1-ylacetate?
The IUPAC name of ethyl 2-piperidin-1-ylacetate (CID 643466) is ethyl 2-piperidin-1-ylacetate.
What is the SMILES notation for ethyl 2-piperidin-1-ylacetate?
The canonical SMILES for ethyl 2-piperidin-1-ylacetate is CCOC(=O)CN1CCCCC1.
What is the InChIKey of ethyl 2-piperidin-1-ylacetate?
The InChIKey is LXZHLNWWDDNIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-12-9(11)8-10-6-4-3-5-7-10/h2-8H2,1H3.
What are the key properties of ethyl 2-piperidin-1-ylacetate?
ethyl 2-piperidin-1-ylacetate has a molecular weight of 171.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperidin-1-ylacetate is sourced from PubChem (CID 643466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).