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

C19H22ClNO2 — CID 3050457

IUPAC(2S,5S)-1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride
SMILESC[C@]1(O)CN(Cc2ccccc2)[C@H](c2ccccc2)CC1=O.Cl
InChIInChI=1S/C19H21NO2.ClH/c1-19(22)14-20(13-15-8-4-2-5-9-15)17(12-18(19)21)16-10-6-3-7-11-16;/h2-11,17,22H,12-14H2,1H3;1H/t17-,19-;/m0./s1
InChIKeyMYAPEEOHWKCAAB-QQTWVUFVSA-N
MW331.84 g/mol
LogP3.38
Rot. Bonds3

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

(2S,5S)-1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride (PubChem CID 3050457) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2S,5S)-1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride.

Molecular Properties

Compound Name(2S,5S)-1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride
PubChem CID3050457
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2S,5S)-1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride
SMILESC[C@]1(O)CN(Cc2ccccc2)[C@H](c2ccccc2)CC1=O.Cl
InChIInChI=1S/C19H21NO2.ClH/c1-19(22)14-20(13-15-8-4-2-5-9-15)17(12-18(19)21)16-10-6-3-7-11-16;/h2-11,17,22H,12-14H2,1H3;1H/t17-,19-;/m0./s1
InChIKeyMYAPEEOHWKCAAB-QQTWVUFVSA-N
XLogP3.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride?
The IUPAC name of (2S,5S)-1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride (CID 3050457) is (2S,5S)-1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride.
What is the SMILES notation for (2S,5S)-1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride?
The canonical SMILES for (2S,5S)-1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride is C[C@]1(O)CN(Cc2ccccc2)[C@H](c2ccccc2)CC1=O.Cl.
What is the InChIKey of (2S,5S)-1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride?
The InChIKey is MYAPEEOHWKCAAB-QQTWVUFVSA-N. The full InChI is InChI=1S/C19H21NO2.ClH/c1-19(22)14-20(13-15-8-4-2-5-9-15)17(12-18(19)21)16-10-6-3-7-11-16;/h2-11,17,22H,12-14H2,1H3;1H/t17-,19-;/m0./s1.
What are the key properties of (2S,5S)-1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride?
(2S,5S)-1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride has a molecular weight of 331.84 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1-benzyl-5-hydroxy-5-methyl-2-phenylpiperidin-4-one;hydrochloride is sourced from PubChem (CID 3050457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).