2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine

C16H17F2N3O2 — CID 154833904

IUPAC2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C16H17F2N3O2/c1-22-15-4-7-19-16(20-15)21-8-5-12(6-9-21)23-14-3-2-11(17)10-13(14)18/h2-4,7,10,12H,5-6,8-9H2,1H3
InChIKeyFRBYTQFRFYJQBP-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.81
Rot. Bonds4

About 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine

2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine (PubChem CID 154833904) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
PubChem CID154833904
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C16H17F2N3O2/c1-22-15-4-7-19-16(20-15)21-8-5-12(6-9-21)23-14-3-2-11(17)10-13(14)18/h2-4,7,10,12H,5-6,8-9H2,1H3
InChIKeyFRBYTQFRFYJQBP-UHFFFAOYSA-N
XLogP2.81
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine?
The IUPAC name of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine (CID 154833904) is 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine.
What is the SMILES notation for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine?
The canonical SMILES for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine is COc1ccnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1.
What is the InChIKey of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine?
The InChIKey is FRBYTQFRFYJQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-22-15-4-7-19-16(20-15)21-8-5-12(6-9-21)23-14-3-2-11(17)10-13(14)18/h2-4,7,10,12H,5-6,8-9H2,1H3.
What are the key properties of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine?
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine has a molecular weight of 321.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine is sourced from PubChem (CID 154833904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).