1-phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol

C26H25F3N6O — CID 135372050

IUPAC1-phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol
SMILESOC1(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)CCCN(c2ccccc2)C1
InChIInChI=1S/C26H25F3N6O/c27-26(28,29)19-11-13-20(14-12-19)30-23-10-5-4-9-22(23)24-31-33-35(32-24)18-25(36)15-6-16-34(17-25)21-7-2-1-3-8-21/h1-5,7-14,30,36H,6,15-18H2
InChIKeyFEZSRLPUXHYDOX-UHFFFAOYSA-N
MW494.52 g/mol
LogP5.13
Rot. Bonds6

About 1-phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol

1-phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol (PubChem CID 135372050) has the molecular formula C26H25F3N6O and a molecular weight of 494.52 g/mol. Its IUPAC name is 1-phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol
PubChem CID135372050
Molecular FormulaC26H25F3N6O
Molecular Weight494.52 g/mol
Exact Mass494.20
IUPAC Name1-phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol
SMILESOC1(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)CCCN(c2ccccc2)C1
InChIInChI=1S/C26H25F3N6O/c27-26(28,29)19-11-13-20(14-12-19)30-23-10-5-4-9-22(23)24-31-33-35(32-24)18-25(36)15-6-16-34(17-25)21-7-2-1-3-8-21/h1-5,7-14,30,36H,6,15-18H2
InChIKeyFEZSRLPUXHYDOX-UHFFFAOYSA-N
XLogP5.13
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.52
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol with MolForge

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Related Compounds

3-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxan-3-ol
CID 135371571
1-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclohexanol
CID 135371580
2-[2-[(2R,3R)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371672
2-[5-[5-Ethyl-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135371690
2-[2-[(2S,3S)-3-methoxybutan-2-yl]tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135371700
1-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]cyclopentan-1-ol
CID 135371787
2-[5-[3-Fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372018
3-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]oxolan-3-ol
CID 135372054
2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 135372071
2-[5-[4-Fluoro-2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
CID 135372104
3-[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol
CID 135372120
3-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]azetidin-3-ol
CID 135372123

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol (CID 135372050) is 1-phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol is OC1(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)CCCN(c2ccccc2)C1.
What is the InChIKey of 1-phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol?
The InChIKey is FEZSRLPUXHYDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O/c27-26(28,29)19-11-13-20(14-12-19)30-23-10-5-4-9-22(23)24-31-33-35(32-24)18-25(36)15-6-16-34(17-25)21-7-2-1-3-8-21/h1-5,7-14,30,36H,6,15-18H2.
What are the key properties of 1-phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol?
1-phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol has a molecular weight of 494.52 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 135372050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).