[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone

C19H26FN5O — CID 119595267

About [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone

[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone (PubChem CID 119595267) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone.

Molecular Properties

• Compound Name: [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone
• PubChem CID: 119595267
• Molecular Formula: C19H26FN5O
• Molecular Weight: 359.45 g/mol
• Exact Mass: 359.21
• IUPAC Name: [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone
• SMILES: CC(C)c1nc(C(=O)N2CCCC(C(C)N)C2)nn1-c1ccccc1F
• InChI: InChI=1S/C19H26FN5O/c1-12(2)18-22-17(23-25(18)16-9-5-4-8-15(16)20)19(26)24-10-6-7-14(11-24)13(3)21/h4-5,8-9,12-14H,6-7,10-11,21H2,1-3H3
• InChIKey: OKPLNWQOJYPFLT-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 77.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.45
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone?

The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone (CID 119595267) is [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone.

What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone?

The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone is CC(C)c1nc(C(=O)N2CCCC(C(C)N)C2)nn1-c1ccccc1F.

What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone?

The InChIKey is OKPLNWQOJYPFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O/c1-12(2)18-22-17(23-25(18)16-9-5-4-8-15(16)20)19(26)24-10-6-7-14(11-24)13(3)21/h4-5,8-9,12-14H,6-7,10-11,21H2,1-3H3.

What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone?

[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone has a molecular weight of 359.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone is sourced from PubChem (CID 119595267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).