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

C11H16FN3O — CID 155973975

IUPAC2-[4-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCC(CF)CC2)n1
InChIInChI=1S/C11H16FN3O/c1-16-10-2-5-13-11(14-10)15-6-3-9(8-12)4-7-15/h2,5,9H,3-4,6-8H2,1H3
InChIKeyIHLRFPXLAONCPK-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.67
Rot. Bonds3

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

2-[4-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine (PubChem CID 155973975) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine.

Molecular Properties

Compound Name2-[4-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine
PubChem CID155973975
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-[4-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCC(CF)CC2)n1
InChIInChI=1S/C11H16FN3O/c1-16-10-2-5-13-11(14-10)15-6-3-9(8-12)4-7-15/h2,5,9H,3-4,6-8H2,1H3
InChIKeyIHLRFPXLAONCPK-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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Related Compounds

CID 137976
CID 137976
CID 535905
CID 535905
CID 21791027
CID 21791027
CID 303830
CID 303830
CID 11480987
CID 11480987
CID 12190128
CID 12190128
CID 16228258
CID 16228258
CID 32114116
CID 32114116
CID 47073311
CID 47073311
CID 84590088
CID 84590088
CID 133128127
CID 133128127
CID 12229622
CID 12229622

Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine?
The IUPAC name of 2-[4-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine (CID 155973975) is 2-[4-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine.
What is the SMILES notation for 2-[4-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine?
The canonical SMILES for 2-[4-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine is COc1ccnc(N2CCC(CF)CC2)n1.
What is the InChIKey of 2-[4-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine?
The InChIKey is IHLRFPXLAONCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-16-10-2-5-13-11(14-10)15-6-3-9(8-12)4-7-15/h2,5,9H,3-4,6-8H2,1H3.
What are the key properties of 2-[4-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine?
2-[4-(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-[4-(fluoromethyl)piperidin-1-yl]-4-methoxypyrimidine is sourced from PubChem (CID 155973975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).