2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride

C22H27ClNO2- — CID 71296873

IUPAC2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride
SMILESCN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1.[Cl-]
InChIInChI=1S/C22H27NO2.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;/h2-7,9-12,19-21,24H,8,13-16H2,1H3;1H/p-1
InChIKeyMKMYPTLXLWOUSO-UHFFFAOYSA-M
MW372.92 g/mol
LogP1.24
Rot. Bonds6

About 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride

2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride (PubChem CID 71296873) has the molecular formula C22H27ClNO2- and a molecular weight of 372.92 g/mol. Its IUPAC name is 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride.

Molecular Properties

Compound Name2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride
PubChem CID71296873
Molecular FormulaC22H27ClNO2-
Molecular Weight372.92 g/mol
Exact Mass372.17
IUPAC Name2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride
SMILESCN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1.[Cl-]
InChIInChI=1S/C22H27NO2.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;/h2-7,9-12,19-21,24H,8,13-16H2,1H3;1H/p-1
InChIKeyMKMYPTLXLWOUSO-UHFFFAOYSA-M
XLogP1.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1-methylpiperidin-2-yl]-1-phenylethanone
CID 162817774
2-[6-[2-(2,3-dihydroxyphenyl)-2-hydroxyethyl]-1-methylpiperidin-2-yl]-1-phenylethanone
CID 162817773
[2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] acetate
CID 74412786
[(1S)-2-[(2S,6R)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethyl] benzoate;hydrochloride
CID 46230942
[(2R,6R)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-phenylmethanone
CID 11899996
2,4-bis(4-chlorophenyl)-1,5-bis(1-methyl-6-phenacylpiperidin-2-yl)pentan-3-one
CID 174409321
2-[(2S,6S)-6-[(2R)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-1-ium-2-yl]-1-phenylethanone
CID 11908456
2-(1-methyl-6-phenylpiperidin-2-yl)-1-phenylethanol
CID 70540871
[2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethyl] thiophene-2-carboxylate
CID 75180091
2-[(6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanone
CID 11393016
1-(4-bromophenyl)-2-[6-[2-(4-bromophenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone
CID 22719915
(1S)-2-[(2S,6R)-1-methyl-6-[(E)-2-phenylethenyl]piperidin-2-yl]-1-phenylethanol
CID 10687251

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride?
The IUPAC name of 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride (CID 71296873) is 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride.
What is the SMILES notation for 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride?
The canonical SMILES for 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride is CN1C(CC(=O)c2ccccc2)CCCC1CC(O)c1ccccc1.[Cl-].
What is the InChIKey of 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride?
The InChIKey is MKMYPTLXLWOUSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H27NO2.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;/h2-7,9-12,19-21,24H,8,13-16H2,1H3;1H/p-1.
What are the key properties of 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride?
2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride has a molecular weight of 372.92 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone chloride is sourced from PubChem (CID 71296873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).