ethyl 2-phenyl-2-piperidin-2-ylacetate

C15H21NO2 — CID 3080846

IUPACethyl 2-phenyl-2-piperidin-2-ylacetate
SMILESCCOC(=O)C(c1ccccc1)C1CCCCN1
InChIInChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3
InChIKeyAIVSIRYZIBXTMM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.48
Rot. Bonds4

About ethyl 2-phenyl-2-piperidin-2-ylacetate

ethyl 2-phenyl-2-piperidin-2-ylacetate (PubChem CID 3080846) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 2-phenyl-2-piperidin-2-ylacetate.

Molecular Properties

Compound Nameethyl 2-phenyl-2-piperidin-2-ylacetate
PubChem CID3080846
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 2-phenyl-2-piperidin-2-ylacetate
SMILESCCOC(=O)C(c1ccccc1)C1CCCCN1
InChIInChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3
InChIKeyAIVSIRYZIBXTMM-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-2-piperidin-2-ylacetate?
The IUPAC name of ethyl 2-phenyl-2-piperidin-2-ylacetate (CID 3080846) is ethyl 2-phenyl-2-piperidin-2-ylacetate.
What is the SMILES notation for ethyl 2-phenyl-2-piperidin-2-ylacetate?
The canonical SMILES for ethyl 2-phenyl-2-piperidin-2-ylacetate is CCOC(=O)C(c1ccccc1)C1CCCCN1.
What is the InChIKey of ethyl 2-phenyl-2-piperidin-2-ylacetate?
The InChIKey is AIVSIRYZIBXTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-18-15(17)14(12-8-4-3-5-9-12)13-10-6-7-11-16-13/h3-5,8-9,13-14,16H,2,6-7,10-11H2,1H3.
What are the key properties of ethyl 2-phenyl-2-piperidin-2-ylacetate?
ethyl 2-phenyl-2-piperidin-2-ylacetate has a molecular weight of 247.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-2-piperidin-2-ylacetate is sourced from PubChem (CID 3080846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).