[6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone

C19H21BrN2O2 — CID 55787670

IUPAC[6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C1
InChIInChI=1S/C19H21BrN2O2/c1-13-9-14(2)12-22(11-13)19(23)15-3-8-18(21-10-15)24-17-6-4-16(20)5-7-17/h3-8,10,13-14H,9,11-12H2,1-2H3
InChIKeyXEAFRKDIZQFLMM-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.75
Rot. Bonds3

About [6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone

[6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 55787670) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is [6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID55787670
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name[6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C1
InChIInChI=1S/C19H21BrN2O2/c1-13-9-14(2)12-22(11-13)19(23)15-3-8-18(21-10-15)24-17-6-4-16(20)5-7-17/h3-8,10,13-14H,9,11-12H2,1-2H3
InChIKeyXEAFRKDIZQFLMM-UHFFFAOYSA-N
XLogP4.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 166191127
[6-(4-bromophenoxy)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487661
[6-(4-bromophenoxy)-3-pyridinyl]-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119559842
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[6-(4-bromophenoxy)-3-pyridinyl]methanone
CID 124611130
1-[6-(4-bromophenoxy)pyridine-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55788479
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 26003226
(3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
CID 62247413
4-[4-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55839783
(6-chloro-3-pyridinyl)-(3-methylazetidin-1-yl)methanone
CID 162440321
[4-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl] acetate
CID 690413
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
(3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 94512813

Frequently Asked Questions

What is the IUPAC name of [6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone (CID 55787670) is [6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2ccc(Oc3ccc(Br)cc3)nc2)C1.
What is the InChIKey of [6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is XEAFRKDIZQFLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13-9-14(2)12-22(11-13)19(23)15-3-8-18(21-10-15)24-17-6-4-16(20)5-7-17/h3-8,10,13-14H,9,11-12H2,1-2H3.
What are the key properties of [6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone?
[6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 389.29 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromophenoxy)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 55787670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).