6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;ethane;1-phenylpiperidine-3,4-diol;bis(6-(trifluoromethyl)pyrazin-2-amine)

C35H43F6N9O7 — CID 177015514

About 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;ethane;1-phenylpiperidine-3,4-diol;bis(6-(trifluoromethyl)pyrazin-2-amine)

6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;ethane;1-phenylpiperidine-3,4-diol;bis(6-(trifluoromethyl)pyrazin-2-amine) (PubChem CID 177015514) has the molecular formula C35H43F6N9O7 and a molecular weight of 815.77 g/mol. Its IUPAC name is 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;ethane;1-phenylpiperidine-3,4-diol;bis(6-(trifluoromethyl)pyrazin-2-amine).

Molecular Properties

• Compound Name: 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;ethane;1-phenylpiperidine-3,4-diol;bis(6-(trifluoromethyl)pyrazin-2-amine)
• PubChem CID: 177015514
• Molecular Formula: C35H43F6N9O7
• Molecular Weight: 815.77 g/mol
• Exact Mass: 815.32
• IUPAC Name: 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;ethane;1-phenylpiperidine-3,4-diol;bis(6-(trifluoromethyl)pyrazin-2-amine)
• SMILES: CC.Nc1cncc(C(F)(F)F)n1.Nc1cncc(C(F)(F)F)n1.O=C(O)c1ccc(C(=O)N2CCC(O)C(O)C2)nc1.OC1CCN(c2ccccc2)CC1O
• InChI: InChI=1S/C12H14N2O5.C11H15NO2.2C5H4F3N3.C2H6/c15-9-3-4-14(6-10(9)16)11(17)8-2-1-7(5-13-8)12(18)19;13-10-6-7-12(8-11(10)14)9-4-2-1-3-5-9;2*6-5(7,8)3-1-10-2-4(9)11-3;1-2/h1-2,5,9-10,15-16H,3-4,6H2,(H,18,19);1-5,10-11,13-14H,6-8H2;2*1-2H,(H2,9,11);1-2H3
• InChIKey: VNGFZTMUBGUTNB-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 258.26 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	815.77
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;ethane;1-phenylpiperidine-3,4-diol;bis(6-(trifluoromethyl)pyrazin-2-amine)?

The IUPAC name of 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;ethane;1-phenylpiperidine-3,4-diol;bis(6-(trifluoromethyl)pyrazin-2-amine) (CID 177015514) is 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;ethane;1-phenylpiperidine-3,4-diol;bis(6-(trifluoromethyl)pyrazin-2-amine).

What is the SMILES notation for 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;ethane;1-phenylpiperidine-3,4-diol;bis(6-(trifluoromethyl)pyrazin-2-amine)?

The canonical SMILES for 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;ethane;1-phenylpiperidine-3,4-diol;bis(6-(trifluoromethyl)pyrazin-2-amine) is CC.Nc1cncc(C(F)(F)F)n1.Nc1cncc(C(F)(F)F)n1.O=C(O)c1ccc(C(=O)N2CCC(O)C(O)C2)nc1.OC1CCN(c2ccccc2)CC1O.

What is the InChIKey of 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;ethane;1-phenylpiperidine-3,4-diol;bis(6-(trifluoromethyl)pyrazin-2-amine)?

The InChIKey is VNGFZTMUBGUTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5.C11H15NO2.2C5H4F3N3.C2H6/c15-9-3-4-14(6-10(9)16)11(17)8-2-1-7(5-13-8)12(18)19;13-10-6-7-12(8-11(10)14)9-4-2-1-3-5-9;2*6-5(7,8)3-1-10-2-4(9)11-3;1-2/h1-2,5,9-10,15-16H,3-4,6H2,(H,18,19);1-5,10-11,13-14H,6-8H2;2*1-2H,(H2,9,11);1-2H3.

What are the key properties of 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;ethane;1-phenylpiperidine-3,4-diol;bis(6-(trifluoromethyl)pyrazin-2-amine)?

6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;ethane;1-phenylpiperidine-3,4-diol;bis(6-(trifluoromethyl)pyrazin-2-amine) has a molecular weight of 815.77 g/mol, XLogP of 3.15, 3 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,4-dihydroxypiperidine-1-carbonyl)pyridine-3-carboxylic acid;ethane;1-phenylpiperidine-3,4-diol;bis(6-(trifluoromethyl)pyrazin-2-amine) is sourced from PubChem (CID 177015514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).