[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid)

C19H26F6N6O5 — CID 154885211

About [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid)

[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid) (PubChem CID 154885211) has the molecular formula C19H26F6N6O5 and a molecular weight of 532.44 g/mol. Its IUPAC name is [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 154885211
• Molecular Formula: C19H26F6N6O5
• Molecular Weight: 532.44 g/mol
• Exact Mass: 532.19
• IUPAC Name: [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid)
• SMILES: CCn1cncc1CN1CCC(Cn2cc(CO)nn2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C15H24N6O.2C2HF3O2/c1-2-20-12-16-7-15(20)10-19-5-3-13(4-6-19)8-21-9-14(11-22)17-18-21;2*3-2(4,5)1(6)7/h7,9,12-13,22H,2-6,8,10-11H2,1H3;2*(H,6,7)
• InChIKey: AWBSXHAOSOFVOT-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 146.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.44
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid) (CID 154885211) is [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid) is CCn1cncc1CN1CCC(Cn2cc(CO)nn2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is AWBSXHAOSOFVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O.2C2HF3O2/c1-2-20-12-16-7-15(20)10-19-5-3-13(4-6-19)8-21-9-14(11-22)17-18-21;2*3-2(4,5)1(6)7/h7,9,12-13,22H,2-6,8,10-11H2,1H3;2*(H,6,7).

What are the key properties of [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid)?

[1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 532.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[1-[(3-ethylimidazol-4-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 154885211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).