2-(2-bromophenoxy)-1-(6-piperidin-1-yl-3-pyridinyl)ethanone

C18H19BrN2O2 — CID 57400190

IUPAC2-(2-bromophenoxy)-1-(6-piperidin-1-yl-3-pyridinyl)ethanone
SMILESO=C(COc1ccccc1Br)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C18H19BrN2O2/c19-15-6-2-3-7-17(15)23-13-16(22)14-8-9-18(20-12-14)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKeySBXVGGFACXUTRM-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.10
Rot. Bonds5

About 2-(2-bromophenoxy)-1-(6-piperidin-1-yl-3-pyridinyl)ethanone

2-(2-bromophenoxy)-1-(6-piperidin-1-yl-3-pyridinyl)ethanone (PubChem CID 57400190) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-(6-piperidin-1-yl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-(6-piperidin-1-yl-3-pyridinyl)ethanone
PubChem CID57400190
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-(2-bromophenoxy)-1-(6-piperidin-1-yl-3-pyridinyl)ethanone
SMILESO=C(COc1ccccc1Br)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C18H19BrN2O2/c19-15-6-2-3-7-17(15)23-13-16(22)14-8-9-18(20-12-14)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2
InChIKeySBXVGGFACXUTRM-UHFFFAOYSA-N
XLogP4.10
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-(6-piperidin-1-yl-3-pyridinyl)ethanone?
The IUPAC name of 2-(2-bromophenoxy)-1-(6-piperidin-1-yl-3-pyridinyl)ethanone (CID 57400190) is 2-(2-bromophenoxy)-1-(6-piperidin-1-yl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-bromophenoxy)-1-(6-piperidin-1-yl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(2-bromophenoxy)-1-(6-piperidin-1-yl-3-pyridinyl)ethanone is O=C(COc1ccccc1Br)c1ccc(N2CCCCC2)nc1.
What is the InChIKey of 2-(2-bromophenoxy)-1-(6-piperidin-1-yl-3-pyridinyl)ethanone?
The InChIKey is SBXVGGFACXUTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c19-15-6-2-3-7-17(15)23-13-16(22)14-8-9-18(20-12-14)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2.
What are the key properties of 2-(2-bromophenoxy)-1-(6-piperidin-1-yl-3-pyridinyl)ethanone?
2-(2-bromophenoxy)-1-(6-piperidin-1-yl-3-pyridinyl)ethanone has a molecular weight of 375.27 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-1-(6-piperidin-1-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 57400190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).