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

C15H21NO2 — CID 52941166

IUPAC[(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethyl] acetate
SMILESCC(=O)OC[C@H](c1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C15H21NO2/c1-12(17)18-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16-15/h2-4,7-8,14-16H,5-6,9-11H2,1H3/t14-,15-/m1/s1
InChIKeyCVQUKTCWORJAAJ-HUUCEWRRSA-N
MW247.34 g/mol
LogP2.48
Rot. Bonds4

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

[(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethyl] acetate (PubChem CID 52941166) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethyl] acetate
PubChem CID52941166
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethyl] acetate
SMILESCC(=O)OC[C@H](c1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C15H21NO2/c1-12(17)18-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16-15/h2-4,7-8,14-16H,5-6,9-11H2,1H3/t14-,15-/m1/s1
InChIKeyCVQUKTCWORJAAJ-HUUCEWRRSA-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 [(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethyl] acetate?
The IUPAC name of [(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethyl] acetate (CID 52941166) is [(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethyl] acetate.
What is the SMILES notation for [(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethyl] acetate?
The canonical SMILES for [(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethyl] acetate is CC(=O)OC[C@H](c1ccccc1)[C@H]1CCCCN1.
What is the InChIKey of [(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethyl] acetate?
The InChIKey is CVQUKTCWORJAAJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(17)18-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16-15/h2-4,7-8,14-16H,5-6,9-11H2,1H3/t14-,15-/m1/s1.
What are the key properties of [(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethyl] acetate?
[(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethyl] 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 [(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]ethyl] acetate is sourced from PubChem (CID 52941166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).