ethyl 2-piperidin-3-ylacetate

C9H17NO2 — CID 2760464

IUPACethyl 2-piperidin-3-ylacetate
SMILESCCOC(=O)CC1CCCNC1
InChIInChI=1S/C9H17NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h8,10H,2-7H2,1H3
InChIKeyRJFIWCWTENIBKC-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds3

About ethyl 2-piperidin-3-ylacetate

ethyl 2-piperidin-3-ylacetate (PubChem CID 2760464) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 2-piperidin-3-ylacetate.

Molecular Properties

Compound Nameethyl 2-piperidin-3-ylacetate
PubChem CID2760464
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 2-piperidin-3-ylacetate
SMILESCCOC(=O)CC1CCCNC1
InChIInChI=1S/C9H17NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h8,10H,2-7H2,1H3
InChIKeyRJFIWCWTENIBKC-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperidin-3-ylacetate?
The IUPAC name of ethyl 2-piperidin-3-ylacetate (CID 2760464) is ethyl 2-piperidin-3-ylacetate.
What is the SMILES notation for ethyl 2-piperidin-3-ylacetate?
The canonical SMILES for ethyl 2-piperidin-3-ylacetate is CCOC(=O)CC1CCCNC1.
What is the InChIKey of ethyl 2-piperidin-3-ylacetate?
The InChIKey is RJFIWCWTENIBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h8,10H,2-7H2,1H3.
What are the key properties of ethyl 2-piperidin-3-ylacetate?
ethyl 2-piperidin-3-ylacetate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperidin-3-ylacetate is sourced from PubChem (CID 2760464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).