3-fluoro-2-[[4-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine

C21H24FN5O — CID 118168648

IUPAC3-fluoro-2-[[4-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine
SMILESCOc1cccc(C2CCN(Cc3cn(Cc4ncccc4F)nn3)CC2)c1
InChIInChI=1S/C21H24FN5O/c1-28-19-5-2-4-17(12-19)16-7-10-26(11-8-16)13-18-14-27(25-24-18)15-21-20(22)6-3-9-23-21/h2-6,9,12,14,16H,7-8,10-11,13,15H2,1H3
InChIKeyTZYFYZMKEWAXBL-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.25
Rot. Bonds6

About 3-fluoro-2-[[4-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine

3-fluoro-2-[[4-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine (PubChem CID 118168648) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-fluoro-2-[[4-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-fluoro-2-[[4-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine
PubChem CID118168648
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name3-fluoro-2-[[4-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine
SMILESCOc1cccc(C2CCN(Cc3cn(Cc4ncccc4F)nn3)CC2)c1
InChIInChI=1S/C21H24FN5O/c1-28-19-5-2-4-17(12-19)16-7-10-26(11-8-16)13-18-14-27(25-24-18)15-21-20(22)6-3-9-23-21/h2-6,9,12,14,16H,7-8,10-11,13,15H2,1H3
InChIKeyTZYFYZMKEWAXBL-UHFFFAOYSA-N
XLogP3.25
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[[4-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine?
The IUPAC name of 3-fluoro-2-[[4-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine (CID 118168648) is 3-fluoro-2-[[4-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine.
What is the SMILES notation for 3-fluoro-2-[[4-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine?
The canonical SMILES for 3-fluoro-2-[[4-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine is COc1cccc(C2CCN(Cc3cn(Cc4ncccc4F)nn3)CC2)c1.
What is the InChIKey of 3-fluoro-2-[[4-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine?
The InChIKey is TZYFYZMKEWAXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-28-19-5-2-4-17(12-19)16-7-10-26(11-8-16)13-18-14-27(25-24-18)15-21-20(22)6-3-9-23-21/h2-6,9,12,14,16H,7-8,10-11,13,15H2,1H3.
What are the key properties of 3-fluoro-2-[[4-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine?
3-fluoro-2-[[4-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine has a molecular weight of 381.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[[4-[[4-(3-methoxyphenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine is sourced from PubChem (CID 118168648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).