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

C21H26Cl2N2O2 — CID 119562373

IUPAC2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCN(C(=O)Cc2cccc(OCc3ccccc3Cl)c2)CC1.Cl
InChIInChI=1S/C21H25ClN2O2.ClH/c1-23-18-9-11-24(12-10-18)21(25)14-16-5-4-7-19(13-16)26-15-17-6-2-3-8-20(17)22;/h2-8,13,18,23H,9-12,14-15H2,1H3;1H
InChIKeyPBRWHLMKTBULDE-UHFFFAOYSA-N
MW409.36 g/mol
LogP4.09
Rot. Bonds6

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

2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119562373) has the molecular formula C21H26Cl2N2O2 and a molecular weight of 409.36 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119562373
Molecular FormulaC21H26Cl2N2O2
Molecular Weight409.36 g/mol
Exact Mass408.14
IUPAC Name2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCN(C(=O)Cc2cccc(OCc3ccccc3Cl)c2)CC1.Cl
InChIInChI=1S/C21H25ClN2O2.ClH/c1-23-18-9-11-24(12-10-18)21(25)14-16-5-4-7-19(13-16)26-15-17-6-2-3-8-20(17)22;/h2-8,13,18,23H,9-12,14-15H2,1H3;1H
InChIKeyPBRWHLMKTBULDE-UHFFFAOYSA-N
XLogP4.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(methylamino)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride
CID 119560104
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-[3-[(2-chlorophenyl)methoxy]phenyl]ethanone
CID 125146233
2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-(1,4-diazepan-1-yl)ethanone
CID 119416917
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119562540
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119562541
2-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119443234
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17290694
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[3-[(2-methylphenyl)methoxy]phenyl]ethanone;hydrochloride
CID 119661818
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
2-(3-bromo-4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 176515965
2-[3-[(2-methylphenyl)methoxy]phenyl]-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119576623

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride (CID 119562373) is 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride is CNC1CCN(C(=O)Cc2cccc(OCc3ccccc3Cl)c2)CC1.Cl.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is PBRWHLMKTBULDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2.ClH/c1-23-18-9-11-24(12-10-18)21(25)14-16-5-4-7-19(13-16)26-15-17-6-2-3-8-20(17)22;/h2-8,13,18,23H,9-12,14-15H2,1H3;1H.
What are the key properties of 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 409.36 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119562373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).