(3R,4R)-3,4-dihydroxy-1-methyl-6-phenylpiperidin-2-one

C12H15NO3 — CID 10036457

IUPAC(3R,4R)-3,4-dihydroxy-1-methyl-6-phenylpiperidin-2-one
SMILESCN1C(=O)[C@H](O)[C@H](O)CC1c1ccccc1
InChIInChI=1S/C12H15NO3/c1-13-9(8-5-3-2-4-6-8)7-10(14)11(15)12(13)16/h2-6,9-11,14-15H,7H2,1H3/t9?,10-,11-/m1/s1
InChIKeyFACWILWCPPILAT-FHZGLPGMSA-N
MW221.26 g/mol
LogP0.31
Rot. Bonds1

About (3R,4R)-3,4-dihydroxy-1-methyl-6-phenylpiperidin-2-one

(3R,4R)-3,4-dihydroxy-1-methyl-6-phenylpiperidin-2-one (PubChem CID 10036457) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3R,4R)-3,4-dihydroxy-1-methyl-6-phenylpiperidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3,4-dihydroxy-1-methyl-6-phenylpiperidin-2-one
PubChem CID10036457
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(3R,4R)-3,4-dihydroxy-1-methyl-6-phenylpiperidin-2-one
SMILESCN1C(=O)[C@H](O)[C@H](O)CC1c1ccccc1
InChIInChI=1S/C12H15NO3/c1-13-9(8-5-3-2-4-6-8)7-10(14)11(15)12(13)16/h2-6,9-11,14-15H,7H2,1H3/t9?,10-,11-/m1/s1
InChIKeyFACWILWCPPILAT-FHZGLPGMSA-N
XLogP0.31
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R,6R)-1,3,6-Tribenzyl-5-hydroxy-piperidin-2-one
CID 468424
(2S,3S,6S)-N-benzyl-3-hydroxy-N-methyl-6-(2-morpholin-4-ylethyl)oxane-2-carboxamide
CID 38025500
(3S,4R,5R)-1-benzyl-3,4,5-trihydroxypiperidin-2-one
CID 44566014
(3S,4R)-3,4-dihydroxy-1-(3-phenylpropanoyl)piperidin-2-one
CID 71661156
(6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-methylpiperidin-2-one
CID 10889819
(6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one
CID 15923313
(6R)-6-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
CID 15923314
(5R,6S)-5,6-diethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
CID 102254920
(5R)-3-hydroxy-1-methyl-5-phenylpyrrolidin-2-one
CID 389093
(2S,3S,6S)-N-benzyl-6-[2-[bis(2-methoxyethyl)amino]ethyl]-3-hydroxy-N-methyloxane-2-carboxamide
CID 38025481
1-Benzyl-3-(1-hydroxyheptyl)piperidin-2-one
CID 76312467
1-Benzyl-3-(1-hydroxy-4-methylpentyl)piperidin-2-one
CID 76323321

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dihydroxy-1-methyl-6-phenylpiperidin-2-one?
The IUPAC name of (3R,4R)-3,4-dihydroxy-1-methyl-6-phenylpiperidin-2-one (CID 10036457) is (3R,4R)-3,4-dihydroxy-1-methyl-6-phenylpiperidin-2-one.
What is the SMILES notation for (3R,4R)-3,4-dihydroxy-1-methyl-6-phenylpiperidin-2-one?
The canonical SMILES for (3R,4R)-3,4-dihydroxy-1-methyl-6-phenylpiperidin-2-one is CN1C(=O)[C@H](O)[C@H](O)CC1c1ccccc1.
What is the InChIKey of (3R,4R)-3,4-dihydroxy-1-methyl-6-phenylpiperidin-2-one?
The InChIKey is FACWILWCPPILAT-FHZGLPGMSA-N. The full InChI is InChI=1S/C12H15NO3/c1-13-9(8-5-3-2-4-6-8)7-10(14)11(15)12(13)16/h2-6,9-11,14-15H,7H2,1H3/t9?,10-,11-/m1/s1.
What are the key properties of (3R,4R)-3,4-dihydroxy-1-methyl-6-phenylpiperidin-2-one?
(3R,4R)-3,4-dihydroxy-1-methyl-6-phenylpiperidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dihydroxy-1-methyl-6-phenylpiperidin-2-one is sourced from PubChem (CID 10036457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).