1-(4-hydroxy-4,4-diphenylbutyl)piperidin-2-one

C21H25NO2 — CID 118753546

IUPAC1-(4-hydroxy-4,4-diphenylbutyl)piperidin-2-one
SMILESO=C1CCCCN1CCCC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c23-20-14-7-8-16-22(20)17-9-15-21(24,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-6,10-13,24H,7-9,14-17H2
InChIKeyFRGMIAQDVHDWPL-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.72
Rot. Bonds6

About 1-(4-hydroxy-4,4-diphenylbutyl)piperidin-2-one

1-(4-hydroxy-4,4-diphenylbutyl)piperidin-2-one (PubChem CID 118753546) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(4-hydroxy-4,4-diphenylbutyl)piperidin-2-one.

Molecular Properties

Compound Name1-(4-hydroxy-4,4-diphenylbutyl)piperidin-2-one
PubChem CID118753546
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-(4-hydroxy-4,4-diphenylbutyl)piperidin-2-one
SMILESO=C1CCCCN1CCCC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c23-20-14-7-8-16-22(20)17-9-15-21(24,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-6,10-13,24H,7-9,14-17H2
InChIKeyFRGMIAQDVHDWPL-UHFFFAOYSA-N
XLogP3.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4,4-diphenylbutyl)piperidin-2-one?
The IUPAC name of 1-(4-hydroxy-4,4-diphenylbutyl)piperidin-2-one (CID 118753546) is 1-(4-hydroxy-4,4-diphenylbutyl)piperidin-2-one.
What is the SMILES notation for 1-(4-hydroxy-4,4-diphenylbutyl)piperidin-2-one?
The canonical SMILES for 1-(4-hydroxy-4,4-diphenylbutyl)piperidin-2-one is O=C1CCCCN1CCCC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(4-hydroxy-4,4-diphenylbutyl)piperidin-2-one?
The InChIKey is FRGMIAQDVHDWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-20-14-7-8-16-22(20)17-9-15-21(24,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-6,10-13,24H,7-9,14-17H2.
What are the key properties of 1-(4-hydroxy-4,4-diphenylbutyl)piperidin-2-one?
1-(4-hydroxy-4,4-diphenylbutyl)piperidin-2-one has a molecular weight of 323.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4,4-diphenylbutyl)piperidin-2-one is sourced from PubChem (CID 118753546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).