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

C14H19NO2 — CID 15706387

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IUPAC[(R)-phenyl-[(2R)-piperidin-2-yl]methyl] acetate
SMILESCC(=O)O[C@H](c1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C14H19NO2/c1-11(16)17-14(12-7-3-2-4-8-12)13-9-5-6-10-15-13/h2-4,7-8,13-15H,5-6,9-10H2,1H3/t13-,14-/m1/s1
InChIKeyBKPLVPRTTWIDNL-ZIAGYGMSSA-N
MW233.31 g/mol
LogP2.43
Rot. Bonds3

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

[(R)-phenyl-[(2R)-piperidin-2-yl]methyl] acetate (PubChem CID 15706387) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [(R)-phenyl-[(2R)-piperidin-2-yl]methyl] acetate.

Molecular Properties

Compound Name[(R)-phenyl-[(2R)-piperidin-2-yl]methyl] acetate
PubChem CID15706387
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[(R)-phenyl-[(2R)-piperidin-2-yl]methyl] acetate
SMILESCC(=O)O[C@H](c1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C14H19NO2/c1-11(16)17-14(12-7-3-2-4-8-12)13-9-5-6-10-15-13/h2-4,7-8,13-15H,5-6,9-10H2,1H3/t13-,14-/m1/s1
InChIKeyBKPLVPRTTWIDNL-ZIAGYGMSSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(R)-phenyl-[(2R)-piperidin-2-yl]methyl] acetate?
The IUPAC name of [(R)-phenyl-[(2R)-piperidin-2-yl]methyl] acetate (CID 15706387) is [(R)-phenyl-[(2R)-piperidin-2-yl]methyl] acetate.
What is the SMILES notation for [(R)-phenyl-[(2R)-piperidin-2-yl]methyl] acetate?
The canonical SMILES for [(R)-phenyl-[(2R)-piperidin-2-yl]methyl] acetate is CC(=O)O[C@H](c1ccccc1)[C@H]1CCCCN1.
What is the InChIKey of [(R)-phenyl-[(2R)-piperidin-2-yl]methyl] acetate?
The InChIKey is BKPLVPRTTWIDNL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(16)17-14(12-7-3-2-4-8-12)13-9-5-6-10-15-13/h2-4,7-8,13-15H,5-6,9-10H2,1H3/t13-,14-/m1/s1.
What are the key properties of [(R)-phenyl-[(2R)-piperidin-2-yl]methyl] acetate?
[(R)-phenyl-[(2R)-piperidin-2-yl]methyl] acetate has a molecular weight of 233.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-phenyl-[(2R)-piperidin-2-yl]methyl] acetate is sourced from PubChem (CID 15706387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).