4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride

C21H22Cl2FN3O — CID 171671238

IUPAC4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride
SMILESCl.Cl.Fc1ccc(-c2cnc(-c3ccncc3)c(CN3CCOCC3)c2)cc1
InChIInChI=1S/C21H20FN3O.2ClH/c22-20-3-1-16(2-4-20)18-13-19(15-25-9-11-26-12-10-25)21(24-14-18)17-5-7-23-8-6-17;;/h1-8,13-14H,9-12,15H2;2*1H
InChIKeyQFVSXPXGYYNSJQ-UHFFFAOYSA-N
MW422.33 g/mol
LogP4.63
Rot. Bonds4

About 4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride

4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride (PubChem CID 171671238) has the molecular formula C21H22Cl2FN3O and a molecular weight of 422.33 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride
PubChem CID171671238
Molecular FormulaC21H22Cl2FN3O
Molecular Weight422.33 g/mol
Exact Mass421.11
IUPAC Name4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride
SMILESCl.Cl.Fc1ccc(-c2cnc(-c3ccncc3)c(CN3CCOCC3)c2)cc1
InChIInChI=1S/C21H20FN3O.2ClH/c22-20-3-1-16(2-4-20)18-13-19(15-25-9-11-26-12-10-25)21(24-14-18)17-5-7-23-8-6-17;;/h1-8,13-14H,9-12,15H2;2*1H
InChIKeyQFVSXPXGYYNSJQ-UHFFFAOYSA-N
XLogP4.63
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.33
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride?
The IUPAC name of 4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride (CID 171671238) is 4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride is Cl.Cl.Fc1ccc(-c2cnc(-c3ccncc3)c(CN3CCOCC3)c2)cc1.
What is the InChIKey of 4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride?
The InChIKey is QFVSXPXGYYNSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O.2ClH/c22-20-3-1-16(2-4-20)18-13-19(15-25-9-11-26-12-10-25)21(24-14-18)17-5-7-23-8-6-17;;/h1-8,13-14H,9-12,15H2;2*1H.
What are the key properties of 4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride?
4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride has a molecular weight of 422.33 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]morpholine;dihydrochloride is sourced from PubChem (CID 171671238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).