1-benzyl-5-phenylmethoxypiperidin-2-one

C19H21NO2 — CID 13115620

IUPAC1-benzyl-5-phenylmethoxypiperidin-2-one
SMILESO=C1CCC(OCc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C19H21NO2/c21-19-12-11-18(22-15-17-9-5-2-6-10-17)14-20(19)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2
InChIKeyMLHHNIBOIWZLIM-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.39
Rot. Bonds5

About 1-benzyl-5-phenylmethoxypiperidin-2-one

1-benzyl-5-phenylmethoxypiperidin-2-one (PubChem CID 13115620) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-benzyl-5-phenylmethoxypiperidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-phenylmethoxypiperidin-2-one
PubChem CID13115620
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-benzyl-5-phenylmethoxypiperidin-2-one
SMILESO=C1CCC(OCc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C19H21NO2/c21-19-12-11-18(22-15-17-9-5-2-6-10-17)14-20(19)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2
InChIKeyMLHHNIBOIWZLIM-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-phenylmethoxypiperidin-2-one?
The IUPAC name of 1-benzyl-5-phenylmethoxypiperidin-2-one (CID 13115620) is 1-benzyl-5-phenylmethoxypiperidin-2-one.
What is the SMILES notation for 1-benzyl-5-phenylmethoxypiperidin-2-one?
The canonical SMILES for 1-benzyl-5-phenylmethoxypiperidin-2-one is O=C1CCC(OCc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-phenylmethoxypiperidin-2-one?
The InChIKey is MLHHNIBOIWZLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19-12-11-18(22-15-17-9-5-2-6-10-17)14-20(19)13-16-7-3-1-4-8-16/h1-10,18H,11-15H2.
What are the key properties of 1-benzyl-5-phenylmethoxypiperidin-2-one?
1-benzyl-5-phenylmethoxypiperidin-2-one has a molecular weight of 295.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-phenylmethoxypiperidin-2-one is sourced from PubChem (CID 13115620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).