1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one

C19H21NO2 — CID 3434649

IUPAC1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one
SMILESCC1(O)CN(Cc2ccccc2)C(c2ccccc2)CC1=O
InChIInChI=1S/C19H21NO2/c1-19(22)14-20(13-15-8-4-2-5-9-15)17(12-18(19)21)16-10-6-3-7-11-16/h2-11,17,22H,12-14H2,1H3
InChIKeyZVLISYHAVDSVIF-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.95
Rot. Bonds3

About 1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one

1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one (PubChem CID 3434649) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one.

Molecular Properties

Compound Name1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one
PubChem CID3434649
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one
SMILESCC1(O)CN(Cc2ccccc2)C(c2ccccc2)CC1=O
InChIInChI=1S/C19H21NO2/c1-19(22)14-20(13-15-8-4-2-5-9-15)17(12-18(19)21)16-10-6-3-7-11-16/h2-11,17,22H,12-14H2,1H3
InChIKeyZVLISYHAVDSVIF-UHFFFAOYSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one?
The IUPAC name of 1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one (CID 3434649) is 1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one.
What is the SMILES notation for 1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one?
The canonical SMILES for 1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one is CC1(O)CN(Cc2ccccc2)C(c2ccccc2)CC1=O.
What is the InChIKey of 1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one?
The InChIKey is ZVLISYHAVDSVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(22)14-20(13-15-8-4-2-5-9-15)17(12-18(19)21)16-10-6-3-7-11-16/h2-11,17,22H,12-14H2,1H3.
What are the key properties of 1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one?
1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one has a molecular weight of 295.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one is sourced from PubChem (CID 3434649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).