4-(4-hydroxy-4-phenylpiperidin-1-yl)-1-phenylbutan-1-one

C21H25NO2 — CID 23424166

IUPAC4-(4-hydroxy-4-phenylpiperidin-1-yl)-1-phenylbutan-1-one
SMILESO=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H25NO2/c23-20(18-8-3-1-4-9-18)12-7-15-22-16-13-21(24,14-17-22)19-10-5-2-6-11-19/h1-6,8-11,24H,7,12-17H2
InChIKeyIOCMJUXJUBZFSJ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.63
Rot. Bonds6

About 4-(4-hydroxy-4-phenylpiperidin-1-yl)-1-phenylbutan-1-one

4-(4-hydroxy-4-phenylpiperidin-1-yl)-1-phenylbutan-1-one (PubChem CID 23424166) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(4-hydroxy-4-phenylpiperidin-1-yl)-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-(4-hydroxy-4-phenylpiperidin-1-yl)-1-phenylbutan-1-one
PubChem CID23424166
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name4-(4-hydroxy-4-phenylpiperidin-1-yl)-1-phenylbutan-1-one
SMILESO=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H25NO2/c23-20(18-8-3-1-4-9-18)12-7-15-22-16-13-21(24,14-17-22)19-10-5-2-6-11-19/h1-6,8-11,24H,7,12-17H2
InChIKeyIOCMJUXJUBZFSJ-UHFFFAOYSA-N
XLogP3.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-4-phenylpiperidin-1-yl)-1-phenylbutan-1-one?
The IUPAC name of 4-(4-hydroxy-4-phenylpiperidin-1-yl)-1-phenylbutan-1-one (CID 23424166) is 4-(4-hydroxy-4-phenylpiperidin-1-yl)-1-phenylbutan-1-one.
What is the SMILES notation for 4-(4-hydroxy-4-phenylpiperidin-1-yl)-1-phenylbutan-1-one?
The canonical SMILES for 4-(4-hydroxy-4-phenylpiperidin-1-yl)-1-phenylbutan-1-one is O=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 4-(4-hydroxy-4-phenylpiperidin-1-yl)-1-phenylbutan-1-one?
The InChIKey is IOCMJUXJUBZFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-20(18-8-3-1-4-9-18)12-7-15-22-16-13-21(24,14-17-22)19-10-5-2-6-11-19/h1-6,8-11,24H,7,12-17H2.
What are the key properties of 4-(4-hydroxy-4-phenylpiperidin-1-yl)-1-phenylbutan-1-one?
4-(4-hydroxy-4-phenylpiperidin-1-yl)-1-phenylbutan-1-one has a molecular weight of 323.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-4-phenylpiperidin-1-yl)-1-phenylbutan-1-one is sourced from PubChem (CID 23424166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).