3-(2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one

C20H23NO2 — CID 3149891

IUPAC3-(2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1O)N1CCCCC1
InChIInChI=1S/C20H23NO2/c22-19-12-6-5-11-17(19)18(16-9-3-1-4-10-16)15-20(23)21-13-7-2-8-14-21/h1,3-6,9-12,18,22H,2,7-8,13-15H2
InChIKeyALVVMUBVGMUFLS-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.93
Rot. Bonds4

About 3-(2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one

3-(2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one (PubChem CID 3149891) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one
PubChem CID3149891
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3-(2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1O)N1CCCCC1
InChIInChI=1S/C20H23NO2/c22-19-12-6-5-11-17(19)18(16-9-3-1-4-10-16)15-20(23)21-13-7-2-8-14-21/h1,3-6,9-12,18,22H,2,7-8,13-15H2
InChIKeyALVVMUBVGMUFLS-UHFFFAOYSA-N
XLogP3.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2946962
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CID 2831646
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CID 2939328
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CID 46914727
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CID 655118
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CID 2902277
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CID 2902872
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CID 2939182
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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one (CID 3149891) is 3-(2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one is O=C(CC(c1ccccc1)c1ccccc1O)N1CCCCC1.
What is the InChIKey of 3-(2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is ALVVMUBVGMUFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-19-12-6-5-11-17(19)18(16-9-3-1-4-10-16)15-20(23)21-13-7-2-8-14-21/h1,3-6,9-12,18,22H,2,7-8,13-15H2.
What are the key properties of 3-(2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
3-(2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 309.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 3149891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).