(3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one

C22H27NO2 — CID 934587

IUPAC(3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc([C@H](CC(=O)N2CCCCC2)c2ccccc2)c(O)c1C
InChIInChI=1S/C22H27NO2/c1-16-11-12-19(22(25)17(16)2)20(18-9-5-3-6-10-18)15-21(24)23-13-7-4-8-14-23/h3,5-6,9-12,20,25H,4,7-8,13-15H2,1-2H3/t20-/m1/s1
InChIKeyULGZKYACZNIZIH-HXUWFJFHSA-N
MW337.46 g/mol
LogP4.54
Rot. Bonds4

About (3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one

(3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one (PubChem CID 934587) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is (3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one
PubChem CID934587
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name(3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc([C@H](CC(=O)N2CCCCC2)c2ccccc2)c(O)c1C
InChIInChI=1S/C22H27NO2/c1-16-11-12-19(22(25)17(16)2)20(18-9-5-3-6-10-18)15-21(24)23-13-7-4-8-14-23/h3,5-6,9-12,20,25H,4,7-8,13-15H2,1-2H3/t20-/m1/s1
InChIKeyULGZKYACZNIZIH-HXUWFJFHSA-N
XLogP4.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 650871
(3S)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 937099
3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one
CID 2946962
(3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperazin-1-ylpropan-1-one
CID 756632
3-(2-hydroxy-5-methylphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 4999569
(3R)-1-(azocan-1-yl)-3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
CID 26323826
(3S)-1-(azocan-1-yl)-3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
CID 26323827
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
(3R)-3-(2-fluorophenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 26392913
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
1-(azocan-1-yl)-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propan-1-one
CID 45181483
(3S)-3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 1314551

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one (CID 934587) is (3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one is Cc1ccc([C@H](CC(=O)N2CCCCC2)c2ccccc2)c(O)c1C.
What is the InChIKey of (3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is ULGZKYACZNIZIH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27NO2/c1-16-11-12-19(22(25)17(16)2)20(18-9-5-3-6-10-18)15-21(24)23-13-7-4-8-14-23/h3,5-6,9-12,20,25H,4,7-8,13-15H2,1-2H3/t20-/m1/s1.
What are the key properties of (3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
(3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 337.46 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 934587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).