1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]

C22H26F3N3 — CID 121359940

IUPAC1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]
SMILESFC(F)(F)CN1CCc2ccccc2C12CCN(CCc1ccncc1)CC2
InChIInChI=1S/C22H26F3N3/c23-22(24,25)17-28-14-8-19-3-1-2-4-20(19)21(28)9-15-27(16-10-21)13-7-18-5-11-26-12-6-18/h1-6,11-12H,7-10,13-17H2
InChIKeyVTPAHAXKTIQDJV-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.04
Rot. Bonds4

About 1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]

1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine] (PubChem CID 121359940) has the molecular formula C22H26F3N3 and a molecular weight of 389.47 g/mol. Its IUPAC name is 1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine].

Molecular Properties

Compound Name1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]
PubChem CID121359940
Molecular FormulaC22H26F3N3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]
SMILESFC(F)(F)CN1CCc2ccccc2C12CCN(CCc1ccncc1)CC2
InChIInChI=1S/C22H26F3N3/c23-22(24,25)17-28-14-8-19-3-1-2-4-20(19)21(28)9-15-27(16-10-21)13-7-18-5-11-26-12-6-18/h1-6,11-12H,7-10,13-17H2
InChIKeyVTPAHAXKTIQDJV-UHFFFAOYSA-N
XLogP4.04
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine] with MolForge

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Related Compounds

2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
CID 121350884
1'-(2-pyridin-4-ylethyl)spiro[indene-1,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
CID 171321288
4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]pyridine-2-carbonitrile
CID 121359805
1-(2-pyridin-4-ylethyl)-2,3-dihydroindole
CID 25056
2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
CID 121359978
N-acetyl-2-[4-[2-(2-acetylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)ethyl]-2-pyridinyl]acetamide
CID 121350945
1-(1'-benzylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl)-2,2,2-trifluoroethanone
CID 121359829
3-(2-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethyl)aniline
CID 121359825
4-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]aniline
CID 62966638
1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
CID 54482081
methane;2-[9-(2-pyridin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid
CID 161215347
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084

Frequently Asked Questions

What is the IUPAC name of 1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]?
The IUPAC name of 1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine] (CID 121359940) is 1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine].
What is the SMILES notation for 1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]?
The canonical SMILES for 1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine] is FC(F)(F)CN1CCc2ccccc2C12CCN(CCc1ccncc1)CC2.
What is the InChIKey of 1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]?
The InChIKey is VTPAHAXKTIQDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3/c23-22(24,25)17-28-14-8-19-3-1-2-4-20(19)21(28)9-15-27(16-10-21)13-7-18-5-11-26-12-6-18/h1-6,11-12H,7-10,13-17H2.
What are the key properties of 1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]?
1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine] has a molecular weight of 389.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine] is sourced from PubChem (CID 121359940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).