ethyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate

C15H21NO2 — CID 11391957

IUPACethyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
SMILESCCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1
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/t13-,14-/m1/s1
InChIKeyAIVSIRYZIBXTMM-ZIAGYGMSSA-N
MW247.34 g/mol
LogP2.48
Rot. Bonds4

About ethyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate

ethyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate (PubChem CID 11391957) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
PubChem CID11391957
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
SMILESCCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1
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/t13-,14-/m1/s1
InChIKeyAIVSIRYZIBXTMM-ZIAGYGMSSA-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 (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate?
The IUPAC name of ethyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate (CID 11391957) is ethyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate.
What is the SMILES notation for ethyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate?
The canonical SMILES for ethyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate is CCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1.
What is the InChIKey of ethyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate?
The InChIKey is AIVSIRYZIBXTMM-ZIAGYGMSSA-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/t13-,14-/m1/s1.
What are the key properties of ethyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate?
ethyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate 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 (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate is sourced from PubChem (CID 11391957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).