methyl (2R)-2-phenyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]acetate

C23H29NO2 — CID 52948633

IUPACmethyl (2R)-2-phenyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1CCCc1ccccc1
InChIInChI=1S/C23H29NO2/c1-26-23(25)22(20-14-6-3-7-15-20)21-16-8-9-17-24(21)18-10-13-19-11-4-2-5-12-19/h2-7,11-12,14-15,21-22H,8-10,13,16-18H2,1H3/t21-,22-/m1/s1
InChIKeyALPWYQATULXWEM-FGZHOGPDSA-N
MW351.49 g/mol
LogP4.43
Rot. Bonds7

About methyl (2R)-2-phenyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]acetate

methyl (2R)-2-phenyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]acetate (PubChem CID 52948633) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is methyl (2R)-2-phenyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl (2R)-2-phenyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]acetate
PubChem CID52948633
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Namemethyl (2R)-2-phenyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]acetate
SMILESCOC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1CCCc1ccccc1
InChIInChI=1S/C23H29NO2/c1-26-23(25)22(20-14-6-3-7-15-20)21-16-8-9-17-24(21)18-10-13-19-11-4-2-5-12-19/h2-7,11-12,14-15,21-22H,8-10,13,16-18H2,1H3/t21-,22-/m1/s1
InChIKeyALPWYQATULXWEM-FGZHOGPDSA-N
XLogP4.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]acetate?
The IUPAC name of methyl (2R)-2-phenyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]acetate (CID 52948633) is methyl (2R)-2-phenyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl (2R)-2-phenyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl (2R)-2-phenyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]acetate is COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1CCCc1ccccc1.
What is the InChIKey of methyl (2R)-2-phenyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]acetate?
The InChIKey is ALPWYQATULXWEM-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H29NO2/c1-26-23(25)22(20-14-6-3-7-15-20)21-16-8-9-17-24(21)18-10-13-19-11-4-2-5-12-19/h2-7,11-12,14-15,21-22H,8-10,13,16-18H2,1H3/t21-,22-/m1/s1.
What are the key properties of methyl (2R)-2-phenyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]acetate?
methyl (2R)-2-phenyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]acetate has a molecular weight of 351.49 g/mol, XLogP of 4.43, 7 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-(3-phenylpropyl)piperidin-2-yl]acetate is sourced from PubChem (CID 52948633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).