4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine

C16H19F2N3OS — CID 171691424

IUPAC4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine
SMILESFc1cc(F)c2nc(N3CCC(N4CCOCC4)CC3)sc2c1
InChIInChI=1S/C16H19F2N3OS/c17-11-9-13(18)15-14(10-11)23-16(19-15)21-3-1-12(2-4-21)20-5-7-22-8-6-20/h9-10,12H,1-8H2
InChIKeyPMVHGJXQFKWDSS-UHFFFAOYSA-N
MW339.41 g/mol
LogP2.88
Rot. Bonds2

About 4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine

4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine (PubChem CID 171691424) has the molecular formula C16H19F2N3OS and a molecular weight of 339.41 g/mol. Its IUPAC name is 4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine
PubChem CID171691424
Molecular FormulaC16H19F2N3OS
Molecular Weight339.41 g/mol
Exact Mass339.12
IUPAC Name4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine
SMILESFc1cc(F)c2nc(N3CCC(N4CCOCC4)CC3)sc2c1
InChIInChI=1S/C16H19F2N3OS/c17-11-9-13(18)15-14(10-11)23-16(19-15)21-3-1-12(2-4-21)20-5-7-22-8-6-20/h9-10,12H,1-8H2
InChIKeyPMVHGJXQFKWDSS-UHFFFAOYSA-N
XLogP2.88
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine (CID 171691424) is 4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine is Fc1cc(F)c2nc(N3CCC(N4CCOCC4)CC3)sc2c1.
What is the InChIKey of 4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine?
The InChIKey is PMVHGJXQFKWDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3OS/c17-11-9-13(18)15-14(10-11)23-16(19-15)21-3-1-12(2-4-21)20-5-7-22-8-6-20/h9-10,12H,1-8H2.
What are the key properties of 4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine?
4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine has a molecular weight of 339.41 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4,6-difluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]morpholine is sourced from PubChem (CID 171691424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).