N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine

C59H63F6N7O2 — CID 159086337

About N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine

N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 159086337) has the molecular formula C59H63F6N7O2 and a molecular weight of 1016.19 g/mol. Its IUPAC name is N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

• Compound Name: N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine
• PubChem CID: 159086337
• Molecular Formula: C59H63F6N7O2
• Molecular Weight: 1016.19 g/mol
• Exact Mass: 1015.49
• IUPAC Name: N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine
• SMILES: Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@H](N(c3ccccn3)c3ccccn3)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@H](Nc3ccccn3)CN2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C32H33F3N4O.C27H30F3N3O/c1-23-18-25(20-27(19-23)32(33,34)35)24(2)40-22-31(26-10-4-3-5-11-26)15-14-28(21-38-31)39(29-12-6-8-16-36-29)30-13-7-9-17-37-30;1-19-14-21(16-23(15-19)27(28,29)30)20(2)34-18-26(22-8-4-3-5-9-22)12-11-24(17-32-26)33-25-10-6-7-13-31-25/h3-13,16-20,24,28,38H,14-15,21-22H2,1-2H3;3-10,13-16,20,24,32H,11-12,17-18H2,1-2H3,(H,31,33)/t24-,28+,31-;20-,24+,26-/m11/s1
• InChIKey: KBMJBTQQPQPCJL-LAFGOJBESA-N
• XLogP: 13.61
• TPSA: 96.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1016.19
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine?

The IUPAC name of N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine (CID 159086337) is N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine.

What is the SMILES notation for N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine?

The canonical SMILES for N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine is Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@H](N(c3ccccn3)c3ccccn3)CN2)cc(C(F)(F)F)c1.Cc1cc([C@@H](C)OC[C@@]2(c3ccccc3)CC[C@H](Nc3ccccn3)CN2)cc(C(F)(F)F)c1.

What is the InChIKey of N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine?

The InChIKey is KBMJBTQQPQPCJL-LAFGOJBESA-N. The full InChI is InChI=1S/C32H33F3N4O.C27H30F3N3O/c1-23-18-25(20-27(19-23)32(33,34)35)24(2)40-22-31(26-10-4-3-5-11-26)15-14-28(21-38-31)39(29-12-6-8-16-36-29)30-13-7-9-17-37-30;1-19-14-21(16-23(15-19)27(28,29)30)20(2)34-18-26(22-8-4-3-5-9-22)12-11-24(17-32-26)33-25-10-6-7-13-31-25/h3-13,16-20,24,28,38H,14-15,21-22H2,1-2H3;3-10,13-16,20,24,32H,11-12,17-18H2,1-2H3,(H,31,33)/t24-,28+,31-;20-,24+,26-/m11/s1.

What are the key properties of N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine?

N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 1016.19 g/mol, XLogP of 13.61, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]pyridin-2-amine;N-[(3S,6S)-6-[[(1R)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 159086337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).