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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Related Compounds

2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
2,4-Disubstituted Pyrimidine 2f
CID 5329419
4-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341260
3-[3-(4-Imidazol-1-yl-phenoxy)-propyl]-pyridine
CID 44341278
2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-5,6,7,8-tetrahydro-imidazo[1,2-a]pyridine
CID 9840856
5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 11532065
5-(3-(4-(3,5-difluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 46225048
3-(5-methyl-4-(4-(3-(piperidin-1-yl)propoxy)phenyl)-4H-1,2,4-triazol-3-yl)pyridine
CID 71712245
3-Fluoropropyl 4-[4-(2-pyridinyl)-2-pyrimidinyl]phenyl ether
CID 4673337
Dimethyl-{3-[4-(8-methyl-imidazo[1,2-a]pyridin-2-yl)-phenoxy]-propyl}-amine
CID 9839643
Dibutyl-{3-[4-(8-methyl-imidazo[1,2-a]pyridin-2-yl)-phenoxy]-propyl}-amine
CID 9865378

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).