4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine

C19H20FN5 — CID 16669618

IUPAC4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESFc1ccc(CN2CCC(c3nc(-c4ccncc4)n[nH]3)CC2)cc1
InChIInChI=1S/C19H20FN5/c20-17-3-1-14(2-4-17)13-25-11-7-16(8-12-25)19-22-18(23-24-19)15-5-9-21-10-6-15/h1-6,9-10,16H,7-8,11-13H2,(H,22,23,24)
InChIKeyVTUNHFUQRPLRRI-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.39
Rot. Bonds4

About 4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine

4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 16669618) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID16669618
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine
SMILESFc1ccc(CN2CCC(c3nc(-c4ccncc4)n[nH]3)CC2)cc1
InChIInChI=1S/C19H20FN5/c20-17-3-1-14(2-4-17)13-25-11-7-16(8-12-25)19-22-18(23-24-19)15-5-9-21-10-6-15/h1-6,9-10,16H,7-8,11-13H2,(H,22,23,24)
InChIKeyVTUNHFUQRPLRRI-UHFFFAOYSA-N
XLogP3.39
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine (CID 16669618) is 4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine is Fc1ccc(CN2CCC(c3nc(-c4ccncc4)n[nH]3)CC2)cc1.
What is the InChIKey of 4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is VTUNHFUQRPLRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c20-17-3-1-14(2-4-17)13-25-11-7-16(8-12-25)19-22-18(23-24-19)15-5-9-21-10-6-15/h1-6,9-10,16H,7-8,11-13H2,(H,22,23,24).
What are the key properties of 4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine?
4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 337.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 16669618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).