2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone;hydrochloride

C22H26ClNO2 — CID 54610012

IUPAC2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone;hydrochloride
SMILESCN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1.Cl
InChIInChI=1S/C22H25NO2.ClH/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;/h2-7,9-12,19-20H,8,13-16H2,1H3;1H/t19-,20+;
InChIKeyTVXBKVYKFXLEAI-AMDBCLDASA-N
MW371.91 g/mol
LogP4.81
Rot. Bonds6

About 2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone;hydrochloride

2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone;hydrochloride (PubChem CID 54610012) has the molecular formula C22H26ClNO2 and a molecular weight of 371.91 g/mol. Its IUPAC name is 2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone;hydrochloride
PubChem CID54610012
Molecular FormulaC22H26ClNO2
Molecular Weight371.91 g/mol
Exact Mass371.17
IUPAC Name2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone;hydrochloride
SMILESCN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1.Cl
InChIInChI=1S/C22H25NO2.ClH/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;/h2-7,9-12,19-20H,8,13-16H2,1H3;1H/t19-,20+;
InChIKeyTVXBKVYKFXLEAI-AMDBCLDASA-N
XLogP4.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tolperisone
CID 5511
Melperone
CID 15387
Diethylpropion
CID 7029
Eperisone
CID 3236
Methadone Hydrochloride
CID 14184
Diethylpropion Hydrochloride
CID 91442
Tolperisone Hydrochloride
CID 92965
Melperone hydrochloride
CID 9926325
Eperisone Hydrochloride
CID 123698
1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
CID 92844
Lenperone
CID 32593
3-(Dimethylamino)-1-phenyl-1-propanone
CID 77042

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone;hydrochloride?
The IUPAC name of 2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone;hydrochloride (CID 54610012) is 2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone;hydrochloride.
What is the SMILES notation for 2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone;hydrochloride?
The canonical SMILES for 2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone;hydrochloride is CN1[C@@H](CC(=O)c2ccccc2)CCC[C@H]1CC(=O)c1ccccc1.Cl.
What is the InChIKey of 2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone;hydrochloride?
The InChIKey is TVXBKVYKFXLEAI-AMDBCLDASA-N. The full InChI is InChI=1S/C22H25NO2.ClH/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;/h2-7,9-12,19-20H,8,13-16H2,1H3;1H/t19-,20+;.
What are the key properties of 2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone;hydrochloride?
2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone;hydrochloride has a molecular weight of 371.91 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethanone;hydrochloride is sourced from PubChem (CID 54610012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).