2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine

C19H18Cl2N2O2 — CID 175227564

IUPAC2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine
SMILESClc1cc2c(Cl)ccc(COc3cccc(C4CCNCC4)n3)c2o1
InChIInChI=1S/C19H18Cl2N2O2/c20-15-5-4-13(19-14(15)10-17(21)25-19)11-24-18-3-1-2-16(23-18)12-6-8-22-9-7-12/h1-5,10,12,22H,6-9,11H2
InChIKeyBDEWXIMVULPKSS-UHFFFAOYSA-N
MW377.27 g/mol
LogP5.18
Rot. Bonds4

About 2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine

2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine (PubChem CID 175227564) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine.

Molecular Properties

Compound Name2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine
PubChem CID175227564
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine
SMILESClc1cc2c(Cl)ccc(COc3cccc(C4CCNCC4)n3)c2o1
InChIInChI=1S/C19H18Cl2N2O2/c20-15-5-4-13(19-14(15)10-17(21)25-19)11-24-18-3-1-2-16(23-18)12-6-8-22-9-7-12/h1-5,10,12,22H,6-9,11H2
InChIKeyBDEWXIMVULPKSS-UHFFFAOYSA-N
XLogP5.18
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.27
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine?
The IUPAC name of 2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine (CID 175227564) is 2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine.
What is the SMILES notation for 2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine?
The canonical SMILES for 2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine is Clc1cc2c(Cl)ccc(COc3cccc(C4CCNCC4)n3)c2o1.
What is the InChIKey of 2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine?
The InChIKey is BDEWXIMVULPKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c20-15-5-4-13(19-14(15)10-17(21)25-19)11-24-18-3-1-2-16(23-18)12-6-8-22-9-7-12/h1-5,10,12,22H,6-9,11H2.
What are the key properties of 2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine?
2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine has a molecular weight of 377.27 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine is sourced from PubChem (CID 175227564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).