(2S)-2-hydroxy-1-(4-methyl-3-phenylpiperidin-1-yl)-2-phenylpropan-1-one

C21H25NO2 — CID 154801264

IUPAC(2S)-2-hydroxy-1-(4-methyl-3-phenylpiperidin-1-yl)-2-phenylpropan-1-one
SMILESCC1CCN(C(=O)[C@@](C)(O)c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C21H25NO2/c1-16-13-14-22(15-19(16)17-9-5-3-6-10-17)20(23)21(2,24)18-11-7-4-8-12-18/h3-12,16,19,24H,13-15H2,1-2H3/t16?,19?,21-/m0/s1
InChIKeyPXAUXYIPEOBURU-IOYBJCICSA-N
MW323.44 g/mol
LogP3.55
Rot. Bonds3

About (2S)-2-hydroxy-1-(4-methyl-3-phenylpiperidin-1-yl)-2-phenylpropan-1-one

(2S)-2-hydroxy-1-(4-methyl-3-phenylpiperidin-1-yl)-2-phenylpropan-1-one (PubChem CID 154801264) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2S)-2-hydroxy-1-(4-methyl-3-phenylpiperidin-1-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-1-(4-methyl-3-phenylpiperidin-1-yl)-2-phenylpropan-1-one
PubChem CID154801264
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(2S)-2-hydroxy-1-(4-methyl-3-phenylpiperidin-1-yl)-2-phenylpropan-1-one
SMILESCC1CCN(C(=O)[C@@](C)(O)c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C21H25NO2/c1-16-13-14-22(15-19(16)17-9-5-3-6-10-17)20(23)21(2,24)18-11-7-4-8-12-18/h3-12,16,19,24H,13-15H2,1-2H3/t16?,19?,21-/m0/s1
InChIKeyPXAUXYIPEOBURU-IOYBJCICSA-N
XLogP3.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (3R,4S)-3,4-diphenylpiperidine-1-carboxylate
CID 101207420
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 120588873
1-(4-amino-3-methylpiperidin-1-yl)-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 119592342
2-(benzotriazol-1-yl)-1-(4-methyl-3-phenylpiperidin-1-yl)ethanone
CID 166349781
2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110882787
(2S)-1-[4-(5-fluoro-2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one
CID 46215710
(3-bromo-4-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 102962104
2,2,2-trifluoro-1-[(3S,4S)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]ethanone
CID 59178499
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 120746591
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396
(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 114501442
3-hydroxy-3-phenyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 110024551

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-1-(4-methyl-3-phenylpiperidin-1-yl)-2-phenylpropan-1-one?
The IUPAC name of (2S)-2-hydroxy-1-(4-methyl-3-phenylpiperidin-1-yl)-2-phenylpropan-1-one (CID 154801264) is (2S)-2-hydroxy-1-(4-methyl-3-phenylpiperidin-1-yl)-2-phenylpropan-1-one.
What is the SMILES notation for (2S)-2-hydroxy-1-(4-methyl-3-phenylpiperidin-1-yl)-2-phenylpropan-1-one?
The canonical SMILES for (2S)-2-hydroxy-1-(4-methyl-3-phenylpiperidin-1-yl)-2-phenylpropan-1-one is CC1CCN(C(=O)[C@@](C)(O)c2ccccc2)CC1c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-1-(4-methyl-3-phenylpiperidin-1-yl)-2-phenylpropan-1-one?
The InChIKey is PXAUXYIPEOBURU-IOYBJCICSA-N. The full InChI is InChI=1S/C21H25NO2/c1-16-13-14-22(15-19(16)17-9-5-3-6-10-17)20(23)21(2,24)18-11-7-4-8-12-18/h3-12,16,19,24H,13-15H2,1-2H3/t16?,19?,21-/m0/s1.
What are the key properties of (2S)-2-hydroxy-1-(4-methyl-3-phenylpiperidin-1-yl)-2-phenylpropan-1-one?
(2S)-2-hydroxy-1-(4-methyl-3-phenylpiperidin-1-yl)-2-phenylpropan-1-one has a molecular weight of 323.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-1-(4-methyl-3-phenylpiperidin-1-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 154801264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).