1-benzylpiperidin-3-amine;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;methane;bis(3-(1,2,4-triazol-4-yl)piperidine);3-[4-[3-(1,2,4-triazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetaldehyde

C75H88ClF9N30O — CID 157388053

About 1-benzylpiperidin-3-amine;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;methane;bis(3-(1,2,4-triazol-4-yl)piperidine);3-[4-[3-(1,2,4-triazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetaldehyde

1-benzylpiperidin-3-amine;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;methane;bis(3-(1,2,4-triazol-4-yl)piperidine);3-[4-[3-(1,2,4-triazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetaldehyde (PubChem CID 157388053) has the molecular formula C75H88ClF9N30O and a molecular weight of 1632.17 g/mol. Its IUPAC name is 1-benzylpiperidin-3-amine;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;methane;bis(3-(1,2,4-triazol-4-yl)piperidine);3-[4-[3-(1,2,4-triazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetaldehyde.

Molecular Properties

• Compound Name: 1-benzylpiperidin-3-amine;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;methane;bis(3-(1,2,4-triazol-4-yl)piperidine);3-[4-[3-(1,2,4-triazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetaldehyde
• PubChem CID: 157388053
• Molecular Formula: C75H88ClF9N30O
• Molecular Weight: 1632.17 g/mol
• Exact Mass: 1630.73
• IUPAC Name: 1-benzylpiperidin-3-amine;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;methane;bis(3-(1,2,4-triazol-4-yl)piperidine);3-[4-[3-(1,2,4-triazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetaldehyde
• SMILES: C.C.FC(F)(F)c1cn2c(-c3nccc(Cl)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(n5cnnc5)C4)n3)cnc2cn1.NC1CCCN(Cc2ccccc2)C1.O=CCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.c1nncn1C1CCCNC1.c1nncn1C1CCCNC1
• InChI: InChI=1S/C18H16F3N9.C18H17F3N6O.C12H18N2.C11H5ClF3N5.2C7H12N4.2CH4/c19-18(20,21)14-9-30-13(6-24-16(30)7-23-14)17-22-4-3-15(27-17)28-5-1-2-12(8-28)29-10-25-26-11-29;19-18(20,21)14-11-27-13(8-24-16(27)9-23-14)17-22-5-3-15(25-17)26-6-1-2-12(10-26)4-7-28;13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;12-8-1-2-16-10(19-8)6-3-18-9-4-17-7(5-20(6)9)11(13,14)15;2*1-2-7(4-8-3-1)11-5-9-10-6-11;;/h3-4,6-7,9-12H,1-2,5,8H2;3,5,7-9,11-12H,1-2,4,6,10H2;1-3,5-6,12H,4,7-10,13H2;1-5H;2*5-8H,1-4H2;2*1H4
• InChIKey: BLQXSJJOADMMGB-UHFFFAOYSA-N
• XLogP: 11.79
• TPSA: 336.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1632.17
LogP ≤ 5	11.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperidin-3-amine;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;methane;bis(3-(1,2,4-triazol-4-yl)piperidine);3-[4-[3-(1,2,4-triazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetaldehyde?

The IUPAC name of 1-benzylpiperidin-3-amine;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;methane;bis(3-(1,2,4-triazol-4-yl)piperidine);3-[4-[3-(1,2,4-triazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetaldehyde (CID 157388053) is 1-benzylpiperidin-3-amine;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;methane;bis(3-(1,2,4-triazol-4-yl)piperidine);3-[4-[3-(1,2,4-triazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetaldehyde.

What is the SMILES notation for 1-benzylpiperidin-3-amine;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;methane;bis(3-(1,2,4-triazol-4-yl)piperidine);3-[4-[3-(1,2,4-triazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetaldehyde?

The canonical SMILES for 1-benzylpiperidin-3-amine;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;methane;bis(3-(1,2,4-triazol-4-yl)piperidine);3-[4-[3-(1,2,4-triazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetaldehyde is C.C.FC(F)(F)c1cn2c(-c3nccc(Cl)n3)cnc2cn1.FC(F)(F)c1cn2c(-c3nccc(N4CCCC(n5cnnc5)C4)n3)cnc2cn1.NC1CCCN(Cc2ccccc2)C1.O=CCC1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.c1nncn1C1CCCNC1.c1nncn1C1CCCNC1.

What is the InChIKey of 1-benzylpiperidin-3-amine;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;methane;bis(3-(1,2,4-triazol-4-yl)piperidine);3-[4-[3-(1,2,4-triazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetaldehyde?

The InChIKey is BLQXSJJOADMMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N9.C18H17F3N6O.C12H18N2.C11H5ClF3N5.2C7H12N4.2CH4/c19-18(20,21)14-9-30-13(6-24-16(30)7-23-14)17-22-4-3-15(27-17)28-5-1-2-12(8-28)29-10-25-26-11-29;19-18(20,21)14-11-27-13(8-24-16(27)9-23-14)17-22-5-3-15(25-17)26-6-1-2-12(10-26)4-7-28;13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;12-8-1-2-16-10(19-8)6-3-18-9-4-17-7(5-20(6)9)11(13,14)15;2*1-2-7(4-8-3-1)11-5-9-10-6-11;;/h3-4,6-7,9-12H,1-2,5,8H2;3,5,7-9,11-12H,1-2,4,6,10H2;1-3,5-6,12H,4,7-10,13H2;1-5H;2*5-8H,1-4H2;2*1H4.

What are the key properties of 1-benzylpiperidin-3-amine;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;methane;bis(3-(1,2,4-triazol-4-yl)piperidine);3-[4-[3-(1,2,4-triazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetaldehyde?

1-benzylpiperidin-3-amine;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;methane;bis(3-(1,2,4-triazol-4-yl)piperidine);3-[4-[3-(1,2,4-triazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetaldehyde has a molecular weight of 1632.17 g/mol, XLogP of 11.79, 12 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzylpiperidin-3-amine;3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;methane;bis(3-(1,2,4-triazol-4-yl)piperidine);3-[4-[3-(1,2,4-triazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine;2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetaldehyde is sourced from PubChem (CID 157388053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).