(2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one

C14H19NO2 — CID 3050446

IUPAC(2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one
SMILESCc1cccc([C@@H]2CC(=O)[C@](C)(O)CN2C)c1
InChIInChI=1S/C14H19NO2/c1-10-5-4-6-11(7-10)12-8-13(16)14(2,17)9-15(12)3/h4-7,12,17H,8-9H2,1-3H3/t12-,14+/m0/s1
InChIKeyQCQQUOALWTVDRJ-GXTWGEPZSA-N
MW233.31 g/mol
LogP1.69
Rot. Bonds1

About (2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one

(2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one (PubChem CID 3050446) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one.

Molecular Properties

Compound Name(2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one
PubChem CID3050446
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one
SMILESCc1cccc([C@@H]2CC(=O)[C@](C)(O)CN2C)c1
InChIInChI=1S/C14H19NO2/c1-10-5-4-6-11(7-10)12-8-13(16)14(2,17)9-15(12)3/h4-7,12,17H,8-9H2,1-3H3/t12-,14+/m0/s1
InChIKeyQCQQUOALWTVDRJ-GXTWGEPZSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one?
The IUPAC name of (2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one (CID 3050446) is (2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one.
What is the SMILES notation for (2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one?
The canonical SMILES for (2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one is Cc1cccc([C@@H]2CC(=O)[C@](C)(O)CN2C)c1.
What is the InChIKey of (2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one?
The InChIKey is QCQQUOALWTVDRJ-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-5-4-6-11(7-10)12-8-13(16)14(2,17)9-15(12)3/h4-7,12,17H,8-9H2,1-3H3/t12-,14+/m0/s1.
What are the key properties of (2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one?
(2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one has a molecular weight of 233.31 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-hydroxy-1,5-dimethyl-2-(3-methylphenyl)piperidin-4-one is sourced from PubChem (CID 3050446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).