5-chloro-2-[(3-methoxyphenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;5-fluoro-2-[[2-fluoro-5-(trifluoromethoxy)phenyl]-(1-methylpiperidin-4-yl)oxymethyl]pyridine

C38H42ClF5N4O4 — CID 158295968

IUPAC5-chloro-2-[(3-methoxyphenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;5-fluoro-2-[[2-fluoro-5-(trifluoromethoxy)phenyl]-(1-methylpiperidin-4-yl)oxymethyl]pyridine
SMILESCN1CCC(OC(c2ccc(F)cn2)c2cc(OC(F)(F)F)ccc2F)CC1.COc1cccc(C(OC2CCN(C)CC2)c2ccc(Cl)cn2)c1
InChIInChI=1S/C19H23ClN2O2.C19H19F5N2O2/c1-22-10-8-16(9-11-22)24-19(18-7-6-15(20)13-21-18)14-4-3-5-17(12-14)23-2;1-26-8-6-13(7-9-26)27-18(17-5-2-12(20)11-25-17)15-10-14(3-4-16(15)21)28-19(22,23)24/h3-7,12-13,16,19H,8-11H2,1-2H3;2-5,10-11,13,18H,6-9H2,1H3
InChIKeyGLXIYGMAPGRFJE-UHFFFAOYSA-N
MW749.22 g/mol
LogP8.40
Rot. Bonds10

About 5-chloro-2-[(3-methoxyphenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;5-fluoro-2-[[2-fluoro-5-(trifluoromethoxy)phenyl]-(1-methylpiperidin-4-yl)oxymethyl]pyridine

5-chloro-2-[(3-methoxyphenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;5-fluoro-2-[[2-fluoro-5-(trifluoromethoxy)phenyl]-(1-methylpiperidin-4-yl)oxymethyl]pyridine (PubChem CID 158295968) has the molecular formula C38H42ClF5N4O4 and a molecular weight of 749.22 g/mol. Its IUPAC name is 5-chloro-2-[(3-methoxyphenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;5-fluoro-2-[[2-fluoro-5-(trifluoromethoxy)phenyl]-(1-methylpiperidin-4-yl)oxymethyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(3-methoxyphenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;5-fluoro-2-[[2-fluoro-5-(trifluoromethoxy)phenyl]-(1-methylpiperidin-4-yl)oxymethyl]pyridine
PubChem CID158295968
Molecular FormulaC38H42ClF5N4O4
Molecular Weight749.22 g/mol
Exact Mass748.28
IUPAC Name5-chloro-2-[(3-methoxyphenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;5-fluoro-2-[[2-fluoro-5-(trifluoromethoxy)phenyl]-(1-methylpiperidin-4-yl)oxymethyl]pyridine
SMILESCN1CCC(OC(c2ccc(F)cn2)c2cc(OC(F)(F)F)ccc2F)CC1.COc1cccc(C(OC2CCN(C)CC2)c2ccc(Cl)cn2)c1
InChIInChI=1S/C19H23ClN2O2.C19H19F5N2O2/c1-22-10-8-16(9-11-22)24-19(18-7-6-15(20)13-21-18)14-4-3-5-17(12-14)23-2;1-26-8-6-13(7-9-26)27-18(17-5-2-12(20)11-25-17)15-10-14(3-4-16(15)21)28-19(22,23)24/h3-7,12-13,16,19H,8-11H2,1-2H3;2-5,10-11,13,18H,6-9H2,1H3
InChIKeyGLXIYGMAPGRFJE-UHFFFAOYSA-N
XLogP8.40
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.22
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Benzodihydroisofuran derivative 1
CID 54577783
Benzodihydroisofuran derivative 2
CID 57393568
5-(4-chloropyridin-2-yl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 57395279
1-(5-chloro-2-pyridinyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57402298
N-[[4-[3-chloro-4-[3-[6-methoxy-5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-2-methoxyethanamine
CID 170696458
N-[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[(oxan-4-ylamino)methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-(difluoromethoxy)phenyl]methyl]oxan-4-amine
CID 170696478
N-[[4-[3-chloro-4-[2-chloro-3-[5-[[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-1-(2,2-difluoroethyl)piperidin-4-amine
CID 170696895
N-[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 170697104
N-[[4-[3-chloro-4-[2-fluoro-3-[6-methoxy-5-[(oxan-4-ylamino)methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]oxan-4-amine
CID 170697279
2-[4-[[4-[3-Chloro-4-[2-chloro-3-[5-[[[1-(2-hydroxyethyl)piperidin-4-yl]amino]methyl]-6-methoxy-2-pyridinyl]phenyl]-2-pyridinyl]-2-(difluoromethoxy)phenyl]methylamino]piperidin-1-yl]ethanol
CID 170697822
N-[[4-[3-chloro-4-[3-[6-methoxy-5-[(oxan-4-ylamino)methyl]-2-pyridinyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]oxan-4-amine
CID 170697831
N-[[6-[2-chloro-3-[3-chloro-2-[3-fluoro-5-methoxy-4-[(oxan-4-ylamino)methyl]phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]oxan-4-amine
CID 170697873

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-methoxyphenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;5-fluoro-2-[[2-fluoro-5-(trifluoromethoxy)phenyl]-(1-methylpiperidin-4-yl)oxymethyl]pyridine?
The IUPAC name of 5-chloro-2-[(3-methoxyphenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;5-fluoro-2-[[2-fluoro-5-(trifluoromethoxy)phenyl]-(1-methylpiperidin-4-yl)oxymethyl]pyridine (CID 158295968) is 5-chloro-2-[(3-methoxyphenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;5-fluoro-2-[[2-fluoro-5-(trifluoromethoxy)phenyl]-(1-methylpiperidin-4-yl)oxymethyl]pyridine.
What is the SMILES notation for 5-chloro-2-[(3-methoxyphenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;5-fluoro-2-[[2-fluoro-5-(trifluoromethoxy)phenyl]-(1-methylpiperidin-4-yl)oxymethyl]pyridine?
The canonical SMILES for 5-chloro-2-[(3-methoxyphenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;5-fluoro-2-[[2-fluoro-5-(trifluoromethoxy)phenyl]-(1-methylpiperidin-4-yl)oxymethyl]pyridine is CN1CCC(OC(c2ccc(F)cn2)c2cc(OC(F)(F)F)ccc2F)CC1.COc1cccc(C(OC2CCN(C)CC2)c2ccc(Cl)cn2)c1.
What is the InChIKey of 5-chloro-2-[(3-methoxyphenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;5-fluoro-2-[[2-fluoro-5-(trifluoromethoxy)phenyl]-(1-methylpiperidin-4-yl)oxymethyl]pyridine?
The InChIKey is GLXIYGMAPGRFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2.C19H19F5N2O2/c1-22-10-8-16(9-11-22)24-19(18-7-6-15(20)13-21-18)14-4-3-5-17(12-14)23-2;1-26-8-6-13(7-9-26)27-18(17-5-2-12(20)11-25-17)15-10-14(3-4-16(15)21)28-19(22,23)24/h3-7,12-13,16,19H,8-11H2,1-2H3;2-5,10-11,13,18H,6-9H2,1H3.
What are the key properties of 5-chloro-2-[(3-methoxyphenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;5-fluoro-2-[[2-fluoro-5-(trifluoromethoxy)phenyl]-(1-methylpiperidin-4-yl)oxymethyl]pyridine?
5-chloro-2-[(3-methoxyphenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;5-fluoro-2-[[2-fluoro-5-(trifluoromethoxy)phenyl]-(1-methylpiperidin-4-yl)oxymethyl]pyridine has a molecular weight of 749.22 g/mol, XLogP of 8.40, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-methoxyphenyl)-(1-methylpiperidin-4-yl)oxymethyl]pyridine;5-fluoro-2-[[2-fluoro-5-(trifluoromethoxy)phenyl]-(1-methylpiperidin-4-yl)oxymethyl]pyridine is sourced from PubChem (CID 158295968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).