2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine

C11H16FN3O — CID 155941668

IUPAC2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCCC(CF)C2)n1
InChIInChI=1S/C11H16FN3O/c1-16-10-4-5-13-11(14-10)15-6-2-3-9(7-12)8-15/h4-5,9H,2-3,6-8H2,1H3
InChIKeyJDHXWNXNKJRNKS-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.67
Rot. Bonds3

About 2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine

2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine (PubChem CID 155941668) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine.

Molecular Properties

Compound Name2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine
PubChem CID155941668
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCCC(CF)C2)n1
InChIInChI=1S/C11H16FN3O/c1-16-10-4-5-13-11(14-10)15-6-2-3-9(7-12)8-15/h4-5,9H,2-3,6-8H2,1H3
InChIKeyJDHXWNXNKJRNKS-UHFFFAOYSA-N
XLogP1.67
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine?
The IUPAC name of 2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine (CID 155941668) is 2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine.
What is the SMILES notation for 2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine?
The canonical SMILES for 2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine is COc1ccnc(N2CCCC(CF)C2)n1.
What is the InChIKey of 2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine?
The InChIKey is JDHXWNXNKJRNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-16-10-4-5-13-11(14-10)15-6-2-3-9(7-12)8-15/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine?
2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine has a molecular weight of 225.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine is sourced from PubChem (CID 155941668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).