4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine

C17H20FN3O — CID 133345860

IUPAC4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine
SMILESCc1cc(N2CCC(Oc3ccc(F)cc3)CC2)nc(C)n1
InChIInChI=1S/C17H20FN3O/c1-12-11-17(20-13(2)19-12)21-9-7-16(8-10-21)22-15-5-3-14(18)4-6-15/h3-6,11,16H,7-10H2,1-2H3
InChIKeyFZJWMALETOTIMZ-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.28
Rot. Bonds3

About 4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine

4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine (PubChem CID 133345860) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine
PubChem CID133345860
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine
SMILESCc1cc(N2CCC(Oc3ccc(F)cc3)CC2)nc(C)n1
InChIInChI=1S/C17H20FN3O/c1-12-11-17(20-13(2)19-12)21-9-7-16(8-10-21)22-15-5-3-14(18)4-6-15/h3-6,11,16H,7-10H2,1-2H3
InChIKeyFZJWMALETOTIMZ-UHFFFAOYSA-N
XLogP3.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133330878
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 133406433
4-[3-(4-fluorophenoxy)piperidin-1-yl]-6-methylpyrimidine-2-carboxylic acid
CID 142721409
4-cyclopropyl-6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrimidine
CID 70712024
1-(2,6-dimethylpyrimidin-4-yl)-N-[1-(4-fluorophenyl)propan-2-yl]piperidin-4-amine
CID 75495478
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 66801525
4-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-3-fluorobenzonitrile
CID 133336170
3-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 155980403
2-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129278072
6-[4-(4-fluorophenoxy)piperidin-1-yl]pyrazine-2-carboxamide
CID 133345869
4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 139028684

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine?
The IUPAC name of 4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine (CID 133345860) is 4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine?
The canonical SMILES for 4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine is Cc1cc(N2CCC(Oc3ccc(F)cc3)CC2)nc(C)n1.
What is the InChIKey of 4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine?
The InChIKey is FZJWMALETOTIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-12-11-17(20-13(2)19-12)21-9-7-16(8-10-21)22-15-5-3-14(18)4-6-15/h3-6,11,16H,7-10H2,1-2H3.
What are the key properties of 4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine?
4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine has a molecular weight of 301.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine is sourced from PubChem (CID 133345860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).