[6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride

C18H22BrCl2N3O2 — CID 119559842

IUPAC[6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
SMILESCNC1CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CC1.Cl.Cl
InChIInChI=1S/C18H20BrN3O2.2ClH/c1-20-15-8-10-22(11-9-15)18(23)13-2-7-17(21-12-13)24-16-5-3-14(19)4-6-16;;/h2-7,12,15,20H,8-11H2,1H3;2*1H
InChIKeyFTZCAORMDZSKHQ-UHFFFAOYSA-N
MW463.20 g/mol
LogP4.30
Rot. Bonds4

About [6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride

[6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 119559842) has the molecular formula C18H22BrCl2N3O2 and a molecular weight of 463.20 g/mol. Its IUPAC name is [6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
PubChem CID119559842
Molecular FormulaC18H22BrCl2N3O2
Molecular Weight463.20 g/mol
Exact Mass461.03
IUPAC Name[6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
SMILESCNC1CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CC1.Cl.Cl
InChIInChI=1S/C18H20BrN3O2.2ClH/c1-20-15-8-10-22(11-9-15)18(23)13-2-7-17(21-12-13)24-16-5-3-14(19)4-6-16;;/h2-7,12,15,20H,8-11H2,1H3;2*1H
InChIKeyFTZCAORMDZSKHQ-UHFFFAOYSA-N
XLogP4.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

[6-(4-bromophenoxy)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487661
[6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 55787670
1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55788479
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[6-(4-bromophenoxy)-3-pyridinyl]methanone
CID 124611130
[6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 166191127
(4-bromophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466873
N-ethyl-1-(6-phenoxypyridine-3-carbonyl)piperidine-4-carboxamide
CID 87016013
N-(4-aminocyclohexyl)-6-(4-bromophenoxy)pyridine-3-carboxamide
CID 119474511
[4-(2,3-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562978
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
4-[4-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55839783
[4-(methylaminomethyl)piperidin-1-yl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 119546141

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of [6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride (CID 119559842) is [6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride is CNC1CCN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CC1.Cl.Cl.
What is the InChIKey of [6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is FTZCAORMDZSKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O2.2ClH/c1-20-15-8-10-22(11-9-15)18(23)13-2-7-17(21-12-13)24-16-5-3-14(19)4-6-16;;/h2-7,12,15,20H,8-11H2,1H3;2*1H.
What are the key properties of [6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride?
[6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 463.20 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119559842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).