[6-(2-bromophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone

C17H17BrN2O2 — CID 166191130

IUPAC[6-(2-bromophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Oc2ccccc2Br)nc1)N1CCCCC1
InChIInChI=1S/C17H17BrN2O2/c18-14-6-2-3-7-15(14)22-16-9-8-13(12-19-16)17(21)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyMYZURCFVIUIIOO-UHFFFAOYSA-N
MW361.24 g/mol
LogP4.26
Rot. Bonds3

About [6-(2-bromophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone

[6-(2-bromophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 166191130) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is [6-(2-bromophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(2-bromophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID166191130
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name[6-(2-bromophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Oc2ccccc2Br)nc1)N1CCCCC1
InChIInChI=1S/C17H17BrN2O2/c18-14-6-2-3-7-15(14)22-16-9-8-13(12-19-16)17(21)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2
InChIKeyMYZURCFVIUIIOO-UHFFFAOYSA-N
XLogP4.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopropyl-1,4-diazepan-1-yl)-[6-(2-fluorophenoxy)-3-pyridinyl]methanone
CID 24771472
[6-(3-bromophenoxy)-3-pyridinyl]-(1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119417259
1,4-diazepan-1-yl-[6-(4-fluorophenoxy)-3-pyridinyl]methanone
CID 24770965
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
(3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 94512813
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
[6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119544234
6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784195
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[4-[[2-(6-methoxy-3-pyridinyl)phenoxy]methyl]phenyl]-piperidin-1-ylmethanone
CID 172632452
[(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
[6-(4-bromophenoxy)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487661

Frequently Asked Questions

What is the IUPAC name of [6-(2-bromophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [6-(2-bromophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone (CID 166191130) is [6-(2-bromophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-(2-bromophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-(2-bromophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1ccc(Oc2ccccc2Br)nc1)N1CCCCC1.
What is the InChIKey of [6-(2-bromophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is MYZURCFVIUIIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c18-14-6-2-3-7-15(14)22-16-9-8-13(12-19-16)17(21)20-10-4-1-5-11-20/h2-3,6-9,12H,1,4-5,10-11H2.
What are the key properties of [6-(2-bromophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone?
[6-(2-bromophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 361.24 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-bromophenoxy)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 166191130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).