2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine

C16H17F2N3O2 — CID 154833904

IUPAC2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C16H17F2N3O2/c1-22-15-4-7-19-16(20-15)21-8-5-12(6-9-21)23-14-3-2-11(17)10-13(14)18/h2-4,7,10,12H,5-6,8-9H2,1H3
InChIKeyFRBYTQFRFYJQBP-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.81
Rot. Bonds4

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

2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine (PubChem CID 154833904) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine.

Molecular Properties

Compound Name2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
PubChem CID154833904
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1
InChIInChI=1S/C16H17F2N3O2/c1-22-15-4-7-19-16(20-15)21-8-5-12(6-9-21)23-14-3-2-11(17)10-13(14)18/h2-4,7,10,12H,5-6,8-9H2,1H3
InChIKeyFRBYTQFRFYJQBP-UHFFFAOYSA-N
XLogP2.81
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
CID 133413516
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-6-methoxy-3-pyridinyl]-2-methoxypropanamide
CID 175415559
(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methanone
CID 126779738
trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol
CID 167811246
1-[(2,4-difluorophenyl)methyl]-4-(4-methoxypyrimidin-2-yl)piperazin-2-one
CID 171323755
methyl 5-amino-4-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyridine-2-carboxylate
CID 150983150
2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine
CID 24737031
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-fluoropyrido[3,4-b]pyrazine
CID 90038113
2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610
3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine
CID 118310232
4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 51104275

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine?
The IUPAC name of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine (CID 154833904) is 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine.
What is the SMILES notation for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine?
The canonical SMILES for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine is COc1ccnc(N2CCC(Oc3ccc(F)cc3F)CC2)n1.
What is the InChIKey of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine?
The InChIKey is FRBYTQFRFYJQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-22-15-4-7-19-16(20-15)21-8-5-12(6-9-21)23-14-3-2-11(17)10-13(14)18/h2-4,7,10,12H,5-6,8-9H2,1H3.
What are the key properties of 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine?
2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine has a molecular weight of 321.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-4-methoxypyrimidine is sourced from PubChem (CID 154833904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).