(2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride

C12H16ClNO2 — CID 3050461

IUPAC(2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride
SMILESC[C@]1(O)CN[C@H](c2ccccc2)CC1=O.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-12(15)8-13-10(7-11(12)14)9-5-3-2-4-6-9;/h2-6,10,13,15H,7-8H2,1H3;1H/t10-,12-;/m0./s1
InChIKeyAAECCRHJNCJDJN-JGAZGGJJSA-N
MW241.72 g/mol
LogP1.46
Rot. Bonds1

About (2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride

(2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride (PubChem CID 3050461) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride.

Molecular Properties

Compound Name(2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride
PubChem CID3050461
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride
SMILESC[C@]1(O)CN[C@H](c2ccccc2)CC1=O.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-12(15)8-13-10(7-11(12)14)9-5-3-2-4-6-9;/h2-6,10,13,15H,7-8H2,1H3;1H/t10-,12-;/m0./s1
InChIKeyAAECCRHJNCJDJN-JGAZGGJJSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride?
The IUPAC name of (2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride (CID 3050461) is (2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride.
What is the SMILES notation for (2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride?
The canonical SMILES for (2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride is C[C@]1(O)CN[C@H](c2ccccc2)CC1=O.Cl.
What is the InChIKey of (2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride?
The InChIKey is AAECCRHJNCJDJN-JGAZGGJJSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c1-12(15)8-13-10(7-11(12)14)9-5-3-2-4-6-9;/h2-6,10,13,15H,7-8H2,1H3;1H/t10-,12-;/m0./s1.
What are the key properties of (2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride?
(2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride is sourced from PubChem (CID 3050461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).