2-methoxy-2-phenyl-5-[phenyl-[5-(trifluoromethyl)tetrazol-1-yl]methyl]piperidin-3-amine

C21H23F3N6O — CID 23108318

IUPAC2-methoxy-2-phenyl-5-[phenyl-[5-(trifluoromethyl)tetrazol-1-yl]methyl]piperidin-3-amine
SMILESCOC1(c2ccccc2)NCC(C(c2ccccc2)n2nnnc2C(F)(F)F)CC1N
InChIInChI=1S/C21H23F3N6O/c1-31-20(16-10-6-3-7-11-16)17(25)12-15(13-26-20)18(14-8-4-2-5-9-14)30-19(21(22,23)24)27-28-29-30/h2-11,15,17-18,26H,12-13,25H2,1H3
InChIKeyLFDUNYOSVKEICT-UHFFFAOYSA-N
MW432.45 g/mol
LogP2.72
Rot. Bonds5

About 2-methoxy-2-phenyl-5-[phenyl-[5-(trifluoromethyl)tetrazol-1-yl]methyl]piperidin-3-amine

2-methoxy-2-phenyl-5-[phenyl-[5-(trifluoromethyl)tetrazol-1-yl]methyl]piperidin-3-amine (PubChem CID 23108318) has the molecular formula C21H23F3N6O and a molecular weight of 432.45 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-5-[phenyl-[5-(trifluoromethyl)tetrazol-1-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name2-methoxy-2-phenyl-5-[phenyl-[5-(trifluoromethyl)tetrazol-1-yl]methyl]piperidin-3-amine
PubChem CID23108318
Molecular FormulaC21H23F3N6O
Molecular Weight432.45 g/mol
Exact Mass432.19
IUPAC Name2-methoxy-2-phenyl-5-[phenyl-[5-(trifluoromethyl)tetrazol-1-yl]methyl]piperidin-3-amine
SMILESCOC1(c2ccccc2)NCC(C(c2ccccc2)n2nnnc2C(F)(F)F)CC1N
InChIInChI=1S/C21H23F3N6O/c1-31-20(16-10-6-3-7-11-16)17(25)12-15(13-26-20)18(14-8-4-2-5-9-14)30-19(21(22,23)24)27-28-29-30/h2-11,15,17-18,26H,12-13,25H2,1H3
InChIKeyLFDUNYOSVKEICT-UHFFFAOYSA-N
XLogP2.72
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-5-[phenyl-[5-(trifluoromethyl)tetrazol-1-yl]methyl]piperidin-3-amine?
The IUPAC name of 2-methoxy-2-phenyl-5-[phenyl-[5-(trifluoromethyl)tetrazol-1-yl]methyl]piperidin-3-amine (CID 23108318) is 2-methoxy-2-phenyl-5-[phenyl-[5-(trifluoromethyl)tetrazol-1-yl]methyl]piperidin-3-amine.
What is the SMILES notation for 2-methoxy-2-phenyl-5-[phenyl-[5-(trifluoromethyl)tetrazol-1-yl]methyl]piperidin-3-amine?
The canonical SMILES for 2-methoxy-2-phenyl-5-[phenyl-[5-(trifluoromethyl)tetrazol-1-yl]methyl]piperidin-3-amine is COC1(c2ccccc2)NCC(C(c2ccccc2)n2nnnc2C(F)(F)F)CC1N.
What is the InChIKey of 2-methoxy-2-phenyl-5-[phenyl-[5-(trifluoromethyl)tetrazol-1-yl]methyl]piperidin-3-amine?
The InChIKey is LFDUNYOSVKEICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O/c1-31-20(16-10-6-3-7-11-16)17(25)12-15(13-26-20)18(14-8-4-2-5-9-14)30-19(21(22,23)24)27-28-29-30/h2-11,15,17-18,26H,12-13,25H2,1H3.
What are the key properties of 2-methoxy-2-phenyl-5-[phenyl-[5-(trifluoromethyl)tetrazol-1-yl]methyl]piperidin-3-amine?
2-methoxy-2-phenyl-5-[phenyl-[5-(trifluoromethyl)tetrazol-1-yl]methyl]piperidin-3-amine has a molecular weight of 432.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-5-[phenyl-[5-(trifluoromethyl)tetrazol-1-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 23108318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).