methyl (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]acetate

C22H27NO2 — CID 52943716

IUPACmethyl (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1CCc1ccccc1
InChIInChI=1S/C22H27NO2/c1-25-22(24)21(19-12-6-3-7-13-19)20-14-8-9-16-23(20)17-15-18-10-4-2-5-11-18/h2-7,10-13,20-21H,8-9,14-17H2,1H3/t20-,21-/m1/s1
InChIKeyXALKSMFHDRJAKZ-NHCUHLMSSA-N
MW337.46 g/mol
LogP4.04
Rot. Bonds6

About methyl (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]acetate

methyl (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]acetate (PubChem CID 52943716) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is methyl (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]acetate
PubChem CID52943716
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Namemethyl (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1CCc1ccccc1
InChIInChI=1S/C22H27NO2/c1-25-22(24)21(19-12-6-3-7-13-19)20-14-8-9-16-23(20)17-15-18-10-4-2-5-11-18/h2-7,10-13,20-21H,8-9,14-17H2,1H3/t20-,21-/m1/s1
InChIKeyXALKSMFHDRJAKZ-NHCUHLMSSA-N
XLogP4.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]acetate (CID 52943716) is methyl (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]acetate is COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1CCc1ccccc1.
What is the InChIKey of methyl (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]acetate?
The InChIKey is XALKSMFHDRJAKZ-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H27NO2/c1-25-22(24)21(19-12-6-3-7-13-19)20-14-8-9-16-23(20)17-15-18-10-4-2-5-11-18/h2-7,10-13,20-21H,8-9,14-17H2,1H3/t20-,21-/m1/s1.
What are the key properties of methyl (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]acetate?
methyl (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]acetate has a molecular weight of 337.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-phenyl-2-[(2R)-1-(2-phenylethyl)piperidin-2-yl]acetate is sourced from PubChem (CID 52943716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).