2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine

C21H23FN4O — CID 70717549

IUPAC2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine
SMILESFc1ccc(OCC2CCCN(c3ccc(Cn4ccnc4)cn3)C2)cc1
InChIInChI=1S/C21H23FN4O/c22-19-4-6-20(7-5-19)27-15-18-2-1-10-26(14-18)21-8-3-17(12-24-21)13-25-11-9-23-16-25/h3-9,11-12,16,18H,1-2,10,13-15H2
InChIKeyYNIDZPJGKNIRQJ-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.76
Rot. Bonds6

About 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine

2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine (PubChem CID 70717549) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine
PubChem CID70717549
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine
SMILESFc1ccc(OCC2CCCN(c3ccc(Cn4ccnc4)cn3)C2)cc1
InChIInChI=1S/C21H23FN4O/c22-19-4-6-20(7-5-19)27-15-18-2-1-10-26(14-18)21-8-3-17(12-24-21)13-25-11-9-23-16-25/h3-9,11-12,16,18H,1-2,10,13-15H2
InChIKeyYNIDZPJGKNIRQJ-UHFFFAOYSA-N
XLogP3.76
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine?
The IUPAC name of 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine (CID 70717549) is 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine.
What is the SMILES notation for 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine?
The canonical SMILES for 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine is Fc1ccc(OCC2CCCN(c3ccc(Cn4ccnc4)cn3)C2)cc1.
What is the InChIKey of 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine?
The InChIKey is YNIDZPJGKNIRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-19-4-6-20(7-5-19)27-15-18-2-1-10-26(14-18)21-8-3-17(12-24-21)13-25-11-9-23-16-25/h3-9,11-12,16,18H,1-2,10,13-15H2.
What are the key properties of 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine?
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine has a molecular weight of 366.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-5-(imidazol-1-ylmethyl)pyridine is sourced from PubChem (CID 70717549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).