4-[4-(fluoromethyl)piperidin-1-yl]-5,6-dimethylpyrimidine

C12H18FN3 — CID 122160169

IUPAC4-[4-(fluoromethyl)piperidin-1-yl]-5,6-dimethylpyrimidine
SMILESCc1ncnc(N2CCC(CF)CC2)c1C
InChIInChI=1S/C12H18FN3/c1-9-10(2)14-8-15-12(9)16-5-3-11(7-13)4-6-16/h8,11H,3-7H2,1-2H3
InChIKeyMIFDYWDAMXDIBJ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.28
Rot. Bonds2

About 4-[4-(fluoromethyl)piperidin-1-yl]-5,6-dimethylpyrimidine

4-[4-(fluoromethyl)piperidin-1-yl]-5,6-dimethylpyrimidine (PubChem CID 122160169) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-[4-(fluoromethyl)piperidin-1-yl]-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[4-(fluoromethyl)piperidin-1-yl]-5,6-dimethylpyrimidine
PubChem CID122160169
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name4-[4-(fluoromethyl)piperidin-1-yl]-5,6-dimethylpyrimidine
SMILESCc1ncnc(N2CCC(CF)CC2)c1C
InChIInChI=1S/C12H18FN3/c1-9-10(2)14-8-15-12(9)16-5-3-11(7-13)4-6-16/h8,11H,3-7H2,1-2H3
InChIKeyMIFDYWDAMXDIBJ-UHFFFAOYSA-N
XLogP2.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-(fluoromethyl)piperidin-1-yl]-5,6-dimethylpyrimidine 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 4-[4-(fluoromethyl)piperidin-1-yl]-5,6-dimethylpyrimidine?
The IUPAC name of 4-[4-(fluoromethyl)piperidin-1-yl]-5,6-dimethylpyrimidine (CID 122160169) is 4-[4-(fluoromethyl)piperidin-1-yl]-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-[4-(fluoromethyl)piperidin-1-yl]-5,6-dimethylpyrimidine?
The canonical SMILES for 4-[4-(fluoromethyl)piperidin-1-yl]-5,6-dimethylpyrimidine is Cc1ncnc(N2CCC(CF)CC2)c1C.
What is the InChIKey of 4-[4-(fluoromethyl)piperidin-1-yl]-5,6-dimethylpyrimidine?
The InChIKey is MIFDYWDAMXDIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-9-10(2)14-8-15-12(9)16-5-3-11(7-13)4-6-16/h8,11H,3-7H2,1-2H3.
What are the key properties of 4-[4-(fluoromethyl)piperidin-1-yl]-5,6-dimethylpyrimidine?
4-[4-(fluoromethyl)piperidin-1-yl]-5,6-dimethylpyrimidine has a molecular weight of 223.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(fluoromethyl)piperidin-1-yl]-5,6-dimethylpyrimidine is sourced from PubChem (CID 122160169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).