1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride

C22H29ClN2O2 — CID 119560104

IUPAC1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride
SMILESCNC1CCN(C(=O)Cc2cccc(OCc3ccccc3C)c2)CC1.Cl
InChIInChI=1S/C22H28N2O2.ClH/c1-17-6-3-4-8-19(17)16-26-21-9-5-7-18(14-21)15-22(25)24-12-10-20(23-2)11-13-24;/h3-9,14,20,23H,10-13,15-16H2,1-2H3;1H
InChIKeyAJSHUWNVPAFVGX-UHFFFAOYSA-N
MW388.94 g/mol
LogP3.75
Rot. Bonds6

About 1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride

1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride (PubChem CID 119560104) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride
PubChem CID119560104
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride
SMILESCNC1CCN(C(=O)Cc2cccc(OCc3ccccc3C)c2)CC1.Cl
InChIInChI=1S/C22H28N2O2.ClH/c1-17-6-3-4-8-19(17)16-26-21-9-5-7-18(14-21)15-22(25)24-12-10-20(23-2)11-13-24;/h3-9,14,20,23H,10-13,15-16H2,1-2H3;1H
InChIKeyAJSHUWNVPAFVGX-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride with MolForge

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Related Compounds

2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119562373
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride
CID 119661818
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 119635291
2-[3-[(2-methylphenyl)methoxy]phenyl]-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119576623
3-methyl-1-[2-[3-[(2-methylphenyl)methoxy]phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 119257603
1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 119259854
2-[3-[(2-methylphenyl)methoxy]phenyl]-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119390993
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687
N-(2-aminoethyl)-2-[3-[(2-methylphenyl)methoxy]phenyl]acetamide
CID 119382324
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-[3-[(2-chlorophenyl)methoxy]phenyl]ethanone
CID 125146233
1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119561175

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride (CID 119560104) is 1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride is CNC1CCN(C(=O)Cc2cccc(OCc3ccccc3C)c2)CC1.Cl.
What is the InChIKey of 1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride?
The InChIKey is AJSHUWNVPAFVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2.ClH/c1-17-6-3-4-8-19(17)16-26-21-9-5-7-18(14-21)15-22(25)24-12-10-20(23-2)11-13-24;/h3-9,14,20,23H,10-13,15-16H2,1-2H3;1H.
What are the key properties of 1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride?
1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride has a molecular weight of 388.94 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride is sourced from PubChem (CID 119560104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).