methyl (2R)-2-[(2R)-1-methylpiperidin-2-yl]-2-phenylacetate

C15H21NO2 — CID 15467761

IUPACmethyl (2R)-2-[(2R)-1-methylpiperidin-2-yl]-2-phenylacetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1C
InChIInChI=1S/C15H21NO2/c1-16-11-7-6-10-13(16)14(15(17)18-2)12-8-4-3-5-9-12/h3-5,8-9,13-14H,6-7,10-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyZMWIDYCUFHNGLQ-ZIAGYGMSSA-N
MW247.34 g/mol
LogP2.43
Rot. Bonds3

About methyl (2R)-2-[(2R)-1-methylpiperidin-2-yl]-2-phenylacetate

methyl (2R)-2-[(2R)-1-methylpiperidin-2-yl]-2-phenylacetate (PubChem CID 15467761) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl (2R)-2-[(2R)-1-methylpiperidin-2-yl]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2R)-1-methylpiperidin-2-yl]-2-phenylacetate
PubChem CID15467761
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl (2R)-2-[(2R)-1-methylpiperidin-2-yl]-2-phenylacetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1C
InChIInChI=1S/C15H21NO2/c1-16-11-7-6-10-13(16)14(15(17)18-2)12-8-4-3-5-9-12/h3-5,8-9,13-14H,6-7,10-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyZMWIDYCUFHNGLQ-ZIAGYGMSSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2R)-1-methylpiperidin-2-yl]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[(2R)-1-methylpiperidin-2-yl]-2-phenylacetate (CID 15467761) is methyl (2R)-2-[(2R)-1-methylpiperidin-2-yl]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[(2R)-1-methylpiperidin-2-yl]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[(2R)-1-methylpiperidin-2-yl]-2-phenylacetate is COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1C.
What is the InChIKey of methyl (2R)-2-[(2R)-1-methylpiperidin-2-yl]-2-phenylacetate?
The InChIKey is ZMWIDYCUFHNGLQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21NO2/c1-16-11-7-6-10-13(16)14(15(17)18-2)12-8-4-3-5-9-12/h3-5,8-9,13-14H,6-7,10-11H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of methyl (2R)-2-[(2R)-1-methylpiperidin-2-yl]-2-phenylacetate?
methyl (2R)-2-[(2R)-1-methylpiperidin-2-yl]-2-phenylacetate has a molecular weight of 247.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2R)-1-methylpiperidin-2-yl]-2-phenylacetate is sourced from PubChem (CID 15467761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).