2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine

C17H19F2N3O2 — CID 171701129

IUPAC2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine
SMILESCOc1cnc(OC2CCCN(Cc3ccc(F)cc3F)C2)nc1
InChIInChI=1S/C17H19F2N3O2/c1-23-15-8-20-17(21-9-15)24-14-3-2-6-22(11-14)10-12-4-5-13(18)7-16(12)19/h4-5,7-9,14H,2-3,6,10-11H2,1H3
InChIKeyQUAFEASDXDBWQT-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.81
Rot. Bonds5

About 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine

2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine (PubChem CID 171701129) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine.

Molecular Properties

Compound Name2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine
PubChem CID171701129
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine
SMILESCOc1cnc(OC2CCCN(Cc3ccc(F)cc3F)C2)nc1
InChIInChI=1S/C17H19F2N3O2/c1-23-15-8-20-17(21-9-15)24-14-3-2-6-22(11-14)10-12-4-5-13(18)7-16(12)19/h4-5,7-9,14H,2-3,6,10-11H2,1H3
InChIKeyQUAFEASDXDBWQT-UHFFFAOYSA-N
XLogP2.81
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine?
The IUPAC name of 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine (CID 171701129) is 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine.
What is the SMILES notation for 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine?
The canonical SMILES for 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine is COc1cnc(OC2CCCN(Cc3ccc(F)cc3F)C2)nc1.
What is the InChIKey of 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine?
The InChIKey is QUAFEASDXDBWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-23-15-8-20-17(21-9-15)24-14-3-2-6-22(11-14)10-12-4-5-13(18)7-16(12)19/h4-5,7-9,14H,2-3,6,10-11H2,1H3.
What are the key properties of 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine?
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine has a molecular weight of 335.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]oxy-5-methoxypyrimidine is sourced from PubChem (CID 171701129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).