1-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine

C19H21FN6 — CID 94674503

IUPAC1-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2nnn(-c3ccccc3F)c2-c2ccncc2)CC1
InChIInChI=1S/C19H21FN6/c20-16-3-1-2-4-18(16)26-19(14-5-9-22-10-6-14)17(23-24-26)13-25-11-7-15(21)8-12-25/h1-6,9-10,15H,7-8,11-13,21H2
InChIKeyGKYBWXJORUEPPS-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.39
Rot. Bonds4

About 1-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine

1-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine (PubChem CID 94674503) has the molecular formula C19H21FN6 and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine
PubChem CID94674503
Molecular FormulaC19H21FN6
Molecular Weight352.42 g/mol
Exact Mass352.18
IUPAC Name1-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2nnn(-c3ccccc3F)c2-c2ccncc2)CC1
InChIInChI=1S/C19H21FN6/c20-16-3-1-2-4-18(16)26-19(14-5-9-22-10-6-14)17(23-24-26)13-25-11-7-15(21)8-12-25/h1-6,9-10,15H,7-8,11-13,21H2
InChIKeyGKYBWXJORUEPPS-UHFFFAOYSA-N
XLogP2.39
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine (CID 94674503) is 1-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine is NC1CCN(Cc2nnn(-c3ccccc3F)c2-c2ccncc2)CC1.
What is the InChIKey of 1-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine?
The InChIKey is GKYBWXJORUEPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6/c20-16-3-1-2-4-18(16)26-19(14-5-9-22-10-6-14)17(23-24-26)13-25-11-7-15(21)8-12-25/h1-6,9-10,15H,7-8,11-13,21H2.
What are the key properties of 1-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine?
1-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine has a molecular weight of 352.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 94674503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).