4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoro-2-piperidin-4-ylpyrimidine

C16H16ClF2N3O — CID 170428061

IUPAC4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoro-2-piperidin-4-ylpyrimidine
SMILESFc1cc(Cl)ccc1COc1nc(C2CCNCC2)ncc1F
InChIInChI=1S/C16H16ClF2N3O/c17-12-2-1-11(13(18)7-12)9-23-16-14(19)8-21-15(22-16)10-3-5-20-6-4-10/h1-2,7-8,10,20H,3-6,9H2
InChIKeyFGJYKRDGMCCWNL-UHFFFAOYSA-N
MW339.77 g/mol
LogP3.45
Rot. Bonds4

About 4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoro-2-piperidin-4-ylpyrimidine

4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoro-2-piperidin-4-ylpyrimidine (PubChem CID 170428061) has the molecular formula C16H16ClF2N3O and a molecular weight of 339.77 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoro-2-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoro-2-piperidin-4-ylpyrimidine
PubChem CID170428061
Molecular FormulaC16H16ClF2N3O
Molecular Weight339.77 g/mol
Exact Mass339.09
IUPAC Name4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoro-2-piperidin-4-ylpyrimidine
SMILESFc1cc(Cl)ccc1COc1nc(C2CCNCC2)ncc1F
InChIInChI=1S/C16H16ClF2N3O/c17-12-2-1-11(13(18)7-12)9-23-16-14(19)8-21-15(22-16)10-3-5-20-6-4-10/h1-2,7-8,10,20H,3-6,9H2
InChIKeyFGJYKRDGMCCWNL-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.77
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoro-2-piperidin-4-ylpyrimidine?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoro-2-piperidin-4-ylpyrimidine (CID 170428061) is 4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoro-2-piperidin-4-ylpyrimidine.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoro-2-piperidin-4-ylpyrimidine?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoro-2-piperidin-4-ylpyrimidine is Fc1cc(Cl)ccc1COc1nc(C2CCNCC2)ncc1F.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoro-2-piperidin-4-ylpyrimidine?
The InChIKey is FGJYKRDGMCCWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N3O/c17-12-2-1-11(13(18)7-12)9-23-16-14(19)8-21-15(22-16)10-3-5-20-6-4-10/h1-2,7-8,10,20H,3-6,9H2.
What are the key properties of 4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoro-2-piperidin-4-ylpyrimidine?
4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoro-2-piperidin-4-ylpyrimidine has a molecular weight of 339.77 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoro-2-piperidin-4-ylpyrimidine is sourced from PubChem (CID 170428061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).