[6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride

C19H23Cl4N3O2 — CID 119544234

IUPAC[6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCNCC1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC1.Cl.Cl
InChIInChI=1S/C19H21Cl2N3O2.2ClH/c1-22-11-13-7-9-24(10-8-13)19(25)14-5-6-17(23-12-14)26-16-4-2-3-15(20)18(16)21;;/h2-6,12-13,22H,7-11H2,1H3;2*1H
InChIKeyYZHKQQQZWPZVCL-UHFFFAOYSA-N
MW467.22 g/mol
LogP5.10
Rot. Bonds5

About [6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride

[6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119544234) has the molecular formula C19H23Cl4N3O2 and a molecular weight of 467.22 g/mol. Its IUPAC name is [6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119544234
Molecular FormulaC19H23Cl4N3O2
Molecular Weight467.22 g/mol
Exact Mass465.05
IUPAC Name[6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
SMILESCNCC1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC1.Cl.Cl
InChIInChI=1S/C19H21Cl2N3O2.2ClH/c1-22-11-13-7-9-24(10-8-13)19(25)14-5-6-17(23-12-14)26-16-4-2-3-15(20)18(16)21;;/h2-6,12-13,22H,7-11H2,1H3;2*1H
InChIKeyYZHKQQQZWPZVCL-UHFFFAOYSA-N
XLogP5.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.22
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

[4-(2,3-dichlorophenoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545906
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[6-(2,3-dichlorophenoxy)-3-pyridinyl]methanone
CID 120657843
[4-(2,3-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562978
[4-(methylaminomethyl)piperidin-1-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 119546141
6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 119431195
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550
6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride
CID 120831593
6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119387481
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543801

Frequently Asked Questions

What is the IUPAC name of [6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of [6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride (CID 119544234) is [6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride is CNCC1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)CC1.Cl.Cl.
What is the InChIKey of [6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is YZHKQQQZWPZVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2.2ClH/c1-22-11-13-7-9-24(10-8-13)19(25)14-5-6-17(23-12-14)26-16-4-2-3-15(20)18(16)21;;/h2-6,12-13,22H,7-11H2,1H3;2*1H.
What are the key properties of [6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride?
[6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 467.22 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119544234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).