(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one

C21H25NO2 — CID 25279572

IUPAC(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one
SMILESCc1ccccc1[C@H](CC(=O)N1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-16-7-5-6-10-19(16)20(17-8-3-2-4-9-17)15-21(24)22-13-11-18(23)12-14-22/h2-10,18,20,23H,11-15H2,1H3/t20-/m1/s1
InChIKeyIICIKMPGSDHRID-HXUWFJFHSA-N
MW323.44 g/mol
LogP3.50
Rot. Bonds4

About (3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one

(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one (PubChem CID 25279572) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one
PubChem CID25279572
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one
SMILESCc1ccccc1[C@H](CC(=O)N1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-16-7-5-6-10-19(16)20(17-8-3-2-4-9-17)15-21(24)22-13-11-18(23)12-14-22/h2-10,18,20,23H,11-15H2,1H3/t20-/m1/s1
InChIKeyIICIKMPGSDHRID-HXUWFJFHSA-N
XLogP3.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 42245855
N-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide
CID 72877580
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
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
1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 119563055
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
(3R)-3-(2-hydroxy-3,4-dimethylphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 934587
(3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 25293793
1-[3-(2-chlorophenyl)-3-phenylpropanoyl]piperidine-4-carboxamide
CID 45204131
ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 45234120
1-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-3,3-bis(2-methylphenyl)propan-1-one
CID 24794732

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one?
The IUPAC name of (3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one (CID 25279572) is (3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for (3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one?
The canonical SMILES for (3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one is Cc1ccccc1[C@H](CC(=O)N1CCC(O)CC1)c1ccccc1.
What is the InChIKey of (3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one?
The InChIKey is IICIKMPGSDHRID-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25NO2/c1-16-7-5-6-10-19(16)20(17-8-3-2-4-9-17)15-21(24)22-13-11-18(23)12-14-22/h2-10,18,20,23H,11-15H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one?
(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one has a molecular weight of 323.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 25279572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).