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

C20H23NO2 — CID 52948225

IUPACbenzyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
SMILESO=C(OCc1ccccc1)[C@H](c1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C20H23NO2/c22-20(23-15-16-9-3-1-4-10-16)19(17-11-5-2-6-12-17)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2/t18-,19-/m1/s1
InChIKeyMNFUKEWWCUWTRK-RTBURBONSA-N
MW309.41 g/mol
LogP3.66
Rot. Bonds5

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

benzyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate (PubChem CID 52948225) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is benzyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate.

Molecular Properties

Compound Namebenzyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
PubChem CID52948225
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Namebenzyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate
SMILESO=C(OCc1ccccc1)[C@H](c1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C20H23NO2/c22-20(23-15-16-9-3-1-4-10-16)19(17-11-5-2-6-12-17)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2/t18-,19-/m1/s1
InChIKeyMNFUKEWWCUWTRK-RTBURBONSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate?
The IUPAC name of benzyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate (CID 52948225) is benzyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate.
What is the SMILES notation for benzyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate?
The canonical SMILES for benzyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate is O=C(OCc1ccccc1)[C@H](c1ccccc1)[C@H]1CCCCN1.
What is the InChIKey of benzyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate?
The InChIKey is MNFUKEWWCUWTRK-RTBURBONSA-N. The full InChI is InChI=1S/C20H23NO2/c22-20(23-15-16-9-3-1-4-10-16)19(17-11-5-2-6-12-17)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2/t18-,19-/m1/s1.
What are the key properties of benzyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate?
benzyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate has a molecular weight of 309.41 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetate is sourced from PubChem (CID 52948225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).