[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone);[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone);formic acid

C116H124F21N21O10 — CID 159736206

About [4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone);[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone);formic acid

[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone);[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone);formic acid (PubChem CID 159736206) has the molecular formula C116H124F21N21O10 and a molecular weight of 2371.36 g/mol. Its IUPAC name is [4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone);[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone);formic acid.

Molecular Properties

• Compound Name: [4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone);[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone);formic acid
• PubChem CID: 159736206
• Molecular Formula: C116H124F21N21O10
• Molecular Weight: 2371.36 g/mol
• Exact Mass: 2369.95
• IUPAC Name: [4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone);[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone);formic acid
• SMILES: NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1.NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1.NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2cnccn2)CC1.NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2cnccn2)CC1.N[C@H](Cc1cc(F)ccc1F)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1.N[C@H](Cc1cc(F)ccc1F)C1CCN(C(=O)c2cnccn2)CC1.O=CO.O=CO
• InChI: InChI=1S/3C20H20F5N3O.3C18H20F2N4O.2CH2O2/c3*21-15-2-3-16(22)14(9-15)10-17(26)12-5-7-28(8-6-12)19(29)13-1-4-18(27-11-13)20(23,24)25;3*19-14-1-2-15(20)13(9-14)10-16(21)12-3-7-24(8-4-12)18(25)17-11-22-5-6-23-17;2*2-1-3/h3*1-4,9,11-12,17H,5-8,10,26H2;3*1-2,5-6,9,11-12,16H,3-4,7-8,10,21H2;2*1H,(H,2,3)/t17-;;;16-;;;;/m1..1..../s1
• InChIKey: NBWJTGHDOURHCX-IMJXWZSGSA-N
• XLogP: 17.33
• TPSA: 468.59 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2371.36
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone);[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone);formic acid?

The IUPAC name of [4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone);[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone);formic acid (CID 159736206) is [4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone);[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone);formic acid.

What is the SMILES notation for [4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone);[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone);formic acid?

The canonical SMILES for [4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone);[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone);formic acid is NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1.NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1.NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2cnccn2)CC1.NC(Cc1cc(F)ccc1F)C1CCN(C(=O)c2cnccn2)CC1.N[C@H](Cc1cc(F)ccc1F)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1.N[C@H](Cc1cc(F)ccc1F)C1CCN(C(=O)c2cnccn2)CC1.O=CO.O=CO.

What is the InChIKey of [4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone);[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone);formic acid?

The InChIKey is NBWJTGHDOURHCX-IMJXWZSGSA-N. The full InChI is InChI=1S/3C20H20F5N3O.3C18H20F2N4O.2CH2O2/c3*21-15-2-3-16(22)14(9-15)10-17(26)12-5-7-28(8-6-12)19(29)13-1-4-18(27-11-13)20(23,24)25;3*19-14-1-2-15(20)13(9-14)10-16(21)12-3-7-24(8-4-12)18(25)17-11-22-5-6-23-17;2*2-1-3/h3*1-4,9,11-12,17H,5-8,10,26H2;3*1-2,5-6,9,11-12,16H,3-4,7-8,10,21H2;2*1H,(H,2,3)/t17-;;;16-;;;;/m1..1..../s1.

What are the key properties of [4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone);[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone);formic acid?

[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone);[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone);formic acid has a molecular weight of 2371.36 g/mol, XLogP of 17.33, 24 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone);[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;bis([4-[1-amino-2-(2,5-difluorophenyl)ethyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone);formic acid is sourced from PubChem (CID 159736206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).