N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[3-(methoxymethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine

C29H33F9N6O — CID 58966478

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[3-(methoxymethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[3-(methoxymethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine (PubChem CID 58966478) has the molecular formula C29H33F9N6O and a molecular weight of 652.61 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[3-(methoxymethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[3-(methoxymethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
• PubChem CID: 58966478
• Molecular Formula: C29H33F9N6O
• Molecular Weight: 652.61 g/mol
• Exact Mass: 652.26
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[3-(methoxymethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
• SMILES: CCC(c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)N1CCCC(COC)C1
• InChI: InChI=1S/C29H33F9N6O/c1-4-25(43-9-5-6-18(14-43)17-45-3)24-8-7-21(27(30,31)32)12-20(24)16-44(26-39-41-42(2)40-26)15-19-10-22(28(33,34)35)13-23(11-19)29(36,37)38/h7-8,10-13,18,25H,4-6,9,14-17H2,1-3H3
• InChIKey: YMDOXEJYHMRHOR-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 59.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.61
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[3-(methoxymethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[3-(methoxymethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine (CID 58966478) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[3-(methoxymethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[3-(methoxymethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[3-(methoxymethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine is CCC(c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)N1CCCC(COC)C1.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[3-(methoxymethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?

The InChIKey is YMDOXEJYHMRHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F9N6O/c1-4-25(43-9-5-6-18(14-43)17-45-3)24-8-7-21(27(30,31)32)12-20(24)16-44(26-39-41-42(2)40-26)15-19-10-22(28(33,34)35)13-23(11-19)29(36,37)38/h7-8,10-13,18,25H,4-6,9,14-17H2,1-3H3.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[3-(methoxymethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[3-(methoxymethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine has a molecular weight of 652.61 g/mol, XLogP of 7.28, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[3-(methoxymethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine is sourced from PubChem (CID 58966478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).