(2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one

C20H23NO2 — CID 10881427

IUPAC(2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one
SMILESC[C@H](O)[C@H]1CC(=O)C[C@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-15(22)19-12-18(23)13-20(17-10-6-3-7-11-17)21(19)14-16-8-4-2-5-9-16/h2-11,15,19-20,22H,12-14H2,1H3/t15-,19+,20+/m0/s1
InChIKeyLYTFTYJAFIFDKG-CWFSZBLJSA-N
MW309.41 g/mol
LogP3.34
Rot. Bonds4

About (2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one

(2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one (PubChem CID 10881427) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one.

Molecular Properties

Compound Name(2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one
PubChem CID10881427
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one
SMILESC[C@H](O)[C@H]1CC(=O)C[C@H](c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-15(22)19-12-18(23)13-20(17-10-6-3-7-11-17)21(19)14-16-8-4-2-5-9-16/h2-11,15,19-20,22H,12-14H2,1H3/t15-,19+,20+/m0/s1
InChIKeyLYTFTYJAFIFDKG-CWFSZBLJSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one?
The IUPAC name of (2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one (CID 10881427) is (2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one.
What is the SMILES notation for (2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one?
The canonical SMILES for (2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one is C[C@H](O)[C@H]1CC(=O)C[C@H](c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of (2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one?
The InChIKey is LYTFTYJAFIFDKG-CWFSZBLJSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15(22)19-12-18(23)13-20(17-10-6-3-7-11-17)21(19)14-16-8-4-2-5-9-16/h2-11,15,19-20,22H,12-14H2,1H3/t15-,19+,20+/m0/s1.
What are the key properties of (2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one?
(2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one has a molecular weight of 309.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-1-benzyl-2-[(1S)-1-hydroxyethyl]-6-phenylpiperidin-4-one is sourced from PubChem (CID 10881427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).