2-[(4-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-6-(1-deuteriopiperidin-4-yl)pyridine

C20H21ClN2O2 — CID 175846671

IUPAC2-[(4-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-6-(1-deuteriopiperidin-4-yl)pyridine
SMILES[2H]N1CCC(c2cccc(OCc3ccc(Cl)c4cc(C)oc34)n2)CC1
InChIInChI=1S/C20H21ClN2O2/c1-13-11-16-17(21)6-5-15(20(16)25-13)12-24-19-4-2-3-18(23-19)14-7-9-22-10-8-14/h2-6,11,14,22H,7-10,12H2,1H3/i/hD
InChIKeyBUDXUGMHJBHQPZ-DYCDLGHISA-N
MW357.86 g/mol
LogP4.84
Rot. Bonds4

About 2-[(4-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-6-(1-deuteriopiperidin-4-yl)pyridine

2-[(4-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-6-(1-deuteriopiperidin-4-yl)pyridine (PubChem CID 175846671) has the molecular formula C20H21ClN2O2 and a molecular weight of 357.86 g/mol. Its IUPAC name is 2-[(4-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-6-(1-deuteriopiperidin-4-yl)pyridine.

Molecular Properties

Compound Name2-[(4-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-6-(1-deuteriopiperidin-4-yl)pyridine
PubChem CID175846671
Molecular FormulaC20H21ClN2O2
Molecular Weight357.86 g/mol
Exact Mass357.14
IUPAC Name2-[(4-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-6-(1-deuteriopiperidin-4-yl)pyridine
SMILES[2H]N1CCC(c2cccc(OCc3ccc(Cl)c4cc(C)oc34)n2)CC1
InChIInChI=1S/C20H21ClN2O2/c1-13-11-16-17(21)6-5-15(20(16)25-13)12-24-19-4-2-3-18(23-19)14-7-9-22-10-8-14/h2-6,11,14,22H,7-10,12H2,1H3/i/hD
InChIKeyBUDXUGMHJBHQPZ-DYCDLGHISA-N
XLogP4.84
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dichloro-1-benzofuran-7-yl)methoxy]-6-piperidin-4-ylpyridine
CID 175227564
2-[[2-methyl-4-(trifluoromethyl)-1-benzofuran-7-yl]methoxy]-6-piperidin-4-ylpyridine;hydrochloride
CID 162352228
7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline
CID 167020774
2-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-6-(4-deuteriocyclohexen-1-yl)pyridine
CID 175929295
2-(1-benzofuran-3-ylmethoxy)-6-piperidin-4-ylpyridine
CID 163230836
methyl 2-[[4-[6-[(4-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate
CID 177129272
2-[[4-ethyl-3-[(Z)-prop-1-enyl]phenyl]methoxy]-6-piperidin-4-ylpyridine
CID 170199883
methyl 3-bromo-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzoate
CID 175721728
1-[3-methoxy-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]phenyl]-2-methylpropan-1-one
CID 163253215
methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate
CID 155190470
2-[(3-fluoro-4-pyridinyl)methoxy]-6-piperidin-4-ylpyridine
CID 167093520
1-methyl-6-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]indazole
CID 163230731

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-6-(1-deuteriopiperidin-4-yl)pyridine?
The IUPAC name of 2-[(4-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-6-(1-deuteriopiperidin-4-yl)pyridine (CID 175846671) is 2-[(4-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-6-(1-deuteriopiperidin-4-yl)pyridine.
What is the SMILES notation for 2-[(4-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-6-(1-deuteriopiperidin-4-yl)pyridine?
The canonical SMILES for 2-[(4-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-6-(1-deuteriopiperidin-4-yl)pyridine is [2H]N1CCC(c2cccc(OCc3ccc(Cl)c4cc(C)oc34)n2)CC1.
What is the InChIKey of 2-[(4-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-6-(1-deuteriopiperidin-4-yl)pyridine?
The InChIKey is BUDXUGMHJBHQPZ-DYCDLGHISA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-13-11-16-17(21)6-5-15(20(16)25-13)12-24-19-4-2-3-18(23-19)14-7-9-22-10-8-14/h2-6,11,14,22H,7-10,12H2,1H3/i/hD.
What are the key properties of 2-[(4-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-6-(1-deuteriopiperidin-4-yl)pyridine?
2-[(4-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-6-(1-deuteriopiperidin-4-yl)pyridine has a molecular weight of 357.86 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-methyl-1-benzofuran-7-yl)methoxy]-6-(1-deuteriopiperidin-4-yl)pyridine is sourced from PubChem (CID 175846671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).