4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine

C22H23FN4O — CID 133316063

IUPAC4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
SMILESCc1nc(-c2ccccn2)nc(N2CCC(Oc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C22H23FN4O/c1-15-16(2)25-21(20-5-3-4-12-24-20)26-22(15)27-13-10-19(11-14-27)28-18-8-6-17(23)7-9-18/h3-9,12,19H,10-11,13-14H2,1-2H3
InChIKeyQDJRYMLHDDHTTK-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.34
Rot. Bonds4

About 4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine

4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine (PubChem CID 133316063) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
PubChem CID133316063
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
SMILESCc1nc(-c2ccccn2)nc(N2CCC(Oc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C22H23FN4O/c1-15-16(2)25-21(20-5-3-4-12-24-20)26-22(15)27-13-10-19(11-14-27)28-18-8-6-17(23)7-9-18/h3-9,12,19H,10-11,13-14H2,1-2H3
InChIKeyQDJRYMLHDDHTTK-UHFFFAOYSA-N
XLogP4.34
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine (CID 133316063) is 4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine is Cc1nc(-c2ccccn2)nc(N2CCC(Oc3ccc(F)cc3)CC2)c1C.
What is the InChIKey of 4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine?
The InChIKey is QDJRYMLHDDHTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-15-16(2)25-21(20-5-3-4-12-24-20)26-22(15)27-13-10-19(11-14-27)28-18-8-6-17(23)7-9-18/h3-9,12,19H,10-11,13-14H2,1-2H3.
What are the key properties of 4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine?
4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine has a molecular weight of 378.45 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 133316063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).