4-[4-(fluoromethyl)piperidin-1-yl]-6-methoxypyrimidine

C11H16FN3O — CID 172880666

IUPAC4-[4-(fluoromethyl)piperidin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CCC(CF)CC2)ncn1
InChIInChI=1S/C11H16FN3O/c1-16-11-6-10(13-8-14-11)15-4-2-9(7-12)3-5-15/h6,8-9H,2-5,7H2,1H3
InChIKeyNDSWSYPOZKYTKN-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.67
Rot. Bonds3

About 4-[4-(fluoromethyl)piperidin-1-yl]-6-methoxypyrimidine

4-[4-(fluoromethyl)piperidin-1-yl]-6-methoxypyrimidine (PubChem CID 172880666) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-[4-(fluoromethyl)piperidin-1-yl]-6-methoxypyrimidine.

Molecular Properties

Compound Name4-[4-(fluoromethyl)piperidin-1-yl]-6-methoxypyrimidine
PubChem CID172880666
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name4-[4-(fluoromethyl)piperidin-1-yl]-6-methoxypyrimidine
SMILESCOc1cc(N2CCC(CF)CC2)ncn1
InChIInChI=1S/C11H16FN3O/c1-16-11-6-10(13-8-14-11)15-4-2-9(7-12)3-5-15/h6,8-9H,2-5,7H2,1H3
InChIKeyNDSWSYPOZKYTKN-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 4-[4-(fluoromethyl)piperidin-1-yl]-6-methoxypyrimidine?
The IUPAC name of 4-[4-(fluoromethyl)piperidin-1-yl]-6-methoxypyrimidine (CID 172880666) is 4-[4-(fluoromethyl)piperidin-1-yl]-6-methoxypyrimidine.
What is the SMILES notation for 4-[4-(fluoromethyl)piperidin-1-yl]-6-methoxypyrimidine?
The canonical SMILES for 4-[4-(fluoromethyl)piperidin-1-yl]-6-methoxypyrimidine is COc1cc(N2CCC(CF)CC2)ncn1.
What is the InChIKey of 4-[4-(fluoromethyl)piperidin-1-yl]-6-methoxypyrimidine?
The InChIKey is NDSWSYPOZKYTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-16-11-6-10(13-8-14-11)15-4-2-9(7-12)3-5-15/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 4-[4-(fluoromethyl)piperidin-1-yl]-6-methoxypyrimidine?
4-[4-(fluoromethyl)piperidin-1-yl]-6-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 4-[4-(fluoromethyl)piperidin-1-yl]-6-methoxypyrimidine is sourced from PubChem (CID 172880666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).