2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-4-pyridin-3-ylpyrimidine

C21H21FN4O — CID 72859054

IUPAC2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-4-pyridin-3-ylpyrimidine
SMILESFc1ccccc1OCC1CCCN(c2nccc(-c3cccnc3)n2)C1
InChIInChI=1S/C21H21FN4O/c22-18-7-1-2-8-20(18)27-15-16-5-4-12-26(14-16)21-24-11-9-19(25-21)17-6-3-10-23-13-17/h1-3,6-11,13,16H,4-5,12,14-15H2
InChIKeyGRXDAHDGAGSINP-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.97
Rot. Bonds5

About 2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-4-pyridin-3-ylpyrimidine

2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-4-pyridin-3-ylpyrimidine (PubChem CID 72859054) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-4-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-4-pyridin-3-ylpyrimidine
PubChem CID72859054
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-4-pyridin-3-ylpyrimidine
SMILESFc1ccccc1OCC1CCCN(c2nccc(-c3cccnc3)n2)C1
InChIInChI=1S/C21H21FN4O/c22-18-7-1-2-8-20(18)27-15-16-5-4-12-26(14-16)21-24-11-9-19(25-21)17-6-3-10-23-13-17/h1-3,6-11,13,16H,4-5,12,14-15H2
InChIKeyGRXDAHDGAGSINP-UHFFFAOYSA-N
XLogP3.97
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-4-pyridin-3-ylpyrimidine?
The IUPAC name of 2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-4-pyridin-3-ylpyrimidine (CID 72859054) is 2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-4-pyridin-3-ylpyrimidine.
What is the SMILES notation for 2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-4-pyridin-3-ylpyrimidine?
The canonical SMILES for 2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-4-pyridin-3-ylpyrimidine is Fc1ccccc1OCC1CCCN(c2nccc(-c3cccnc3)n2)C1.
What is the InChIKey of 2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-4-pyridin-3-ylpyrimidine?
The InChIKey is GRXDAHDGAGSINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-18-7-1-2-8-20(18)27-15-16-5-4-12-26(14-16)21-24-11-9-19(25-21)17-6-3-10-23-13-17/h1-3,6-11,13,16H,4-5,12,14-15H2.
What are the key properties of 2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-4-pyridin-3-ylpyrimidine?
2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-4-pyridin-3-ylpyrimidine has a molecular weight of 364.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-4-pyridin-3-ylpyrimidine is sourced from PubChem (CID 72859054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).