4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)quinoline

C22H19F3N6 — CID 86683056

IUPAC4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2nc(N3CCCCC3)c(-c3nn[nH]n3)c(-c3ccccc3)c2c1
InChIInChI=1S/C22H19F3N6/c23-22(24,25)15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-27-29-30-28-20)21(26-17)31-11-5-2-6-12-31/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,27,28,29,30)
InChIKeySUXQAVNHOCPUSH-UHFFFAOYSA-N
MW424.43 g/mol
LogP5.09
Rot. Bonds3

About 4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)quinoline

4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)quinoline (PubChem CID 86683056) has the molecular formula C22H19F3N6 and a molecular weight of 424.43 g/mol. Its IUPAC name is 4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)quinoline
PubChem CID86683056
Molecular FormulaC22H19F3N6
Molecular Weight424.43 g/mol
Exact Mass424.16
IUPAC Name4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2nc(N3CCCCC3)c(-c3nn[nH]n3)c(-c3ccccc3)c2c1
InChIInChI=1S/C22H19F3N6/c23-22(24,25)15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-27-29-30-28-20)21(26-17)31-11-5-2-6-12-31/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,27,28,29,30)
InChIKeySUXQAVNHOCPUSH-UHFFFAOYSA-N
XLogP5.09
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.43
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Chloro-4-Phenyl-2-(Piperidin-1-Yl)-3-(1h-Tetrazol-5-Yl)quinoline
CID 71556425
N-(2,6-difluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57400854
Drl-17822
CID 58689743
(R)-2-(4-methylpiperidin-1-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 46890347
5-[3-(Trifluoromethyl)phenyl]-7-[4-(dimethylamino)phenyl]pyrido[2,3-d]pyrimidine-4-amine
CID 9953319
2-(4-Cyclopropyl-piperazin-1-yl)-6-trifluoromethyl-quinoline
CID 11486222
(R)-2-(6-methyl-2-phenylpyrimidin-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11502401
(R)-2-(5-methyl-1-(6-methyl-4-(trifluoromethyl)pyridin-2-yl)-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11554762
N-(2-fluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 44222965
N-phenyl-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57390291
N-(4-fluoro-2-methylphenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57392125
N-(3-fluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57395548

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)quinoline?
The IUPAC name of 4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)quinoline (CID 86683056) is 4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)quinoline?
The canonical SMILES for 4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)quinoline is FC(F)(F)c1ccc2nc(N3CCCCC3)c(-c3nn[nH]n3)c(-c3ccccc3)c2c1.
What is the InChIKey of 4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)quinoline?
The InChIKey is SUXQAVNHOCPUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6/c23-22(24,25)15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-27-29-30-28-20)21(26-17)31-11-5-2-6-12-31/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,27,28,29,30).
What are the key properties of 4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)quinoline?
4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)quinoline has a molecular weight of 424.43 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-piperidin-1-yl-3-(2H-tetrazol-5-yl)-6-(trifluoromethyl)quinoline is sourced from PubChem (CID 86683056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).