N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine

C23H30F3N3 — CID 42462311

About N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine

N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine (PubChem CID 42462311) has the molecular formula C23H30F3N3 and a molecular weight of 405.51 g/mol. Its IUPAC name is N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine.

Molecular Properties

• Compound Name: N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine
• PubChem CID: 42462311
• Molecular Formula: C23H30F3N3
• Molecular Weight: 405.51 g/mol
• Exact Mass: 405.24
• IUPAC Name: N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine
• SMILES: Cc1cccc(CN(C)C[C@H]2CCCN(CCc3cccc(C(F)(F)F)c3)C2)n1
• InChI: InChI=1S/C23H30F3N3/c1-18-6-3-10-22(27-18)17-28(2)15-20-8-5-12-29(16-20)13-11-19-7-4-9-21(14-19)23(24,25)26/h3-4,6-7,9-10,14,20H,5,8,11-13,15-17H2,1-2H3/t20-/m1/s1
• InChIKey: CQHXXUBKGMOOTH-HXUWFJFHSA-N
• XLogP: 4.80
• TPSA: 19.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.51
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine?

The IUPAC name of N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine (CID 42462311) is N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine.

What is the SMILES notation for N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine?

The canonical SMILES for N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine is Cc1cccc(CN(C)C[C@H]2CCCN(CCc3cccc(C(F)(F)F)c3)C2)n1.

What is the InChIKey of N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine?

The InChIKey is CQHXXUBKGMOOTH-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30F3N3/c1-18-6-3-10-22(27-18)17-28(2)15-20-8-5-12-29(16-20)13-11-19-7-4-9-21(14-19)23(24,25)26/h3-4,6-7,9-10,14,20H,5,8,11-13,15-17H2,1-2H3/t20-/m1/s1.

What are the key properties of N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine?

N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine has a molecular weight of 405.51 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 42462311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).