N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[4-(2-methoxyethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine

C30H35F9N6O — CID 58966451

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[4-(2-methoxyethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[4-(2-methoxyethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine (PubChem CID 58966451) has the molecular formula C30H35F9N6O and a molecular weight of 666.63 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[4-(2-methoxyethyl)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-[4-(2-methoxyethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine
• PubChem CID: 58966451
• Molecular Formula: C30H35F9N6O
• Molecular Weight: 666.63 g/mol
• Exact Mass: 666.27
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[4-(2-methoxyethyl)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)N1CCC(CCOC)CC1
• InChI: InChI=1S/C30H35F9N6O/c1-4-26(44-10-7-19(8-11-44)9-12-46-3)25-6-5-22(28(31,32)33)15-21(25)18-45(27-40-42-43(2)41-27)17-20-13-23(29(34,35)36)16-24(14-20)30(37,38)39/h5-6,13-16,19,26H,4,7-12,17-18H2,1-3H3
• InChIKey: LOKJFXCWQPJIGA-UHFFFAOYSA-N
• XLogP: 7.67
• TPSA: 59.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.63
LogP ≤ 5	7.67
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-[4-(2-methoxyethyl)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-[4-(2-methoxyethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine (CID 58966451) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[4-(2-methoxyethyl)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-[4-(2-methoxyethyl)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-[4-(2-methoxyethyl)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)N1CCC(CCOC)CC1.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[4-(2-methoxyethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?

The InChIKey is LOKJFXCWQPJIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F9N6O/c1-4-26(44-10-7-19(8-11-44)9-12-46-3)25-6-5-22(28(31,32)33)15-21(25)18-45(27-40-42-43(2)41-27)17-20-13-23(29(34,35)36)16-24(14-20)30(37,38)39/h5-6,13-16,19,26H,4,7-12,17-18H2,1-3H3.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[4-(2-methoxyethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[1-[4-(2-methoxyethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine has a molecular weight of 666.63 g/mol, XLogP of 7.67, 11 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-[4-(2-methoxyethyl)piperidin-1-yl]propyl]-5-(trifluoromethyl)phenyl]methyl]-2-methyltetrazol-5-amine is sourced from PubChem (CID 58966451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).