(2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one;hydrochloride

C13H18ClNO2 — CID 3050463

IUPAC(2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one;hydrochloride
SMILESCN1C[C@](C)(O)C(=O)C[C@H]1c1ccccc1.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-13(16)9-14(2)11(8-12(13)15)10-6-4-3-5-7-10;/h3-7,11,16H,8-9H2,1-2H3;1H/t11-,13-;/m0./s1
InChIKeyDKHCKZZUCLCSKM-JZKFLRDJSA-N
MW255.75 g/mol
LogP1.81
Rot. Bonds1

About (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one;hydrochloride

(2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one;hydrochloride (PubChem CID 3050463) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one;hydrochloride.

Molecular Properties

Compound Name(2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one;hydrochloride
PubChem CID3050463
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name(2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one;hydrochloride
SMILESCN1C[C@](C)(O)C(=O)C[C@H]1c1ccccc1.Cl
InChIInChI=1S/C13H17NO2.ClH/c1-13(16)9-14(2)11(8-12(13)15)10-6-4-3-5-7-10;/h3-7,11,16H,8-9H2,1-2H3;1H/t11-,13-;/m0./s1
InChIKeyDKHCKZZUCLCSKM-JZKFLRDJSA-N
XLogP1.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one;hydrochloride?
The IUPAC name of (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one;hydrochloride (CID 3050463) is (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one;hydrochloride.
What is the SMILES notation for (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one;hydrochloride?
The canonical SMILES for (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one;hydrochloride is CN1C[C@](C)(O)C(=O)C[C@H]1c1ccccc1.Cl.
What is the InChIKey of (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one;hydrochloride?
The InChIKey is DKHCKZZUCLCSKM-JZKFLRDJSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c1-13(16)9-14(2)11(8-12(13)15)10-6-4-3-5-7-10;/h3-7,11,16H,8-9H2,1-2H3;1H/t11-,13-;/m0./s1.
What are the key properties of (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one;hydrochloride?
(2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-hydroxy-1,5-dimethyl-2-phenylpiperidin-4-one;hydrochloride is sourced from PubChem (CID 3050463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).