4-[2-(4-fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine

C17H20FN3O — CID 164673350

IUPAC4-[2-(4-fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine
SMILESFc1ccc(CCOc2cc(N3CCCCC3)ncn2)cc1
InChIInChI=1S/C17H20FN3O/c18-15-6-4-14(5-7-15)8-11-22-17-12-16(19-13-20-17)21-9-2-1-3-10-21/h4-7,12-13H,1-3,8-11H2
InChIKeyDOGYZJBKBFUXDC-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.23
Rot. Bonds5

About 4-[2-(4-fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine

4-[2-(4-fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine (PubChem CID 164673350) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine
PubChem CID164673350
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name4-[2-(4-fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine
SMILESFc1ccc(CCOc2cc(N3CCCCC3)ncn2)cc1
InChIInChI=1S/C17H20FN3O/c18-15-6-4-14(5-7-15)8-11-22-17-12-16(19-13-20-17)21-9-2-1-3-10-21/h4-7,12-13H,1-3,8-11H2
InChIKeyDOGYZJBKBFUXDC-UHFFFAOYSA-N
XLogP3.23
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-[2-(4-fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine (CID 164673350) is 4-[2-(4-fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine is Fc1ccc(CCOc2cc(N3CCCCC3)ncn2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine?
The InChIKey is DOGYZJBKBFUXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-15-6-4-14(5-7-15)8-11-22-17-12-16(19-13-20-17)21-9-2-1-3-10-21/h4-7,12-13H,1-3,8-11H2.
What are the key properties of 4-[2-(4-fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine?
4-[2-(4-fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine has a molecular weight of 301.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 164673350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).