[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(3,3,3-trifluoroprop-1-enyl)pyrazin-2-yl]methanol

C21H23F3N4O — CID 175756183

IUPAC[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(3,3,3-trifluoroprop-1-enyl)pyrazin-2-yl]methanol
SMILESNC1c2ccccc2CC12CCN(c1ncc(C=CC(F)(F)F)nc1CO)CC2
InChIInChI=1S/C21H23F3N4O/c22-21(23,24)6-5-15-12-26-19(17(13-29)27-15)28-9-7-20(8-10-28)11-14-3-1-2-4-16(14)18(20)25/h1-6,12,18,29H,7-11,13,25H2
InChIKeyLJWKOOJFSWNBGT-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.39
Rot. Bonds3

About [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(3,3,3-trifluoroprop-1-enyl)pyrazin-2-yl]methanol

[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(3,3,3-trifluoroprop-1-enyl)pyrazin-2-yl]methanol (PubChem CID 175756183) has the molecular formula C21H23F3N4O and a molecular weight of 404.44 g/mol. Its IUPAC name is [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(3,3,3-trifluoroprop-1-enyl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(3,3,3-trifluoroprop-1-enyl)pyrazin-2-yl]methanol
PubChem CID175756183
Molecular FormulaC21H23F3N4O
Molecular Weight404.44 g/mol
Exact Mass404.18
IUPAC Name[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(3,3,3-trifluoroprop-1-enyl)pyrazin-2-yl]methanol
SMILESNC1c2ccccc2CC12CCN(c1ncc(C=CC(F)(F)F)nc1CO)CC2
InChIInChI=1S/C21H23F3N4O/c22-21(23,24)6-5-15-12-26-19(17(13-29)27-15)28-9-7-20(8-10-28)11-14-3-1-2-4-16(14)18(20)25/h1-6,12,18,29H,7-11,13,25H2
InChIKeyLJWKOOJFSWNBGT-UHFFFAOYSA-N
XLogP3.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(3,3,3-trifluoroprop-1-enyl)pyrazin-2-yl]methanol?
The IUPAC name of [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(3,3,3-trifluoroprop-1-enyl)pyrazin-2-yl]methanol (CID 175756183) is [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(3,3,3-trifluoroprop-1-enyl)pyrazin-2-yl]methanol.
What is the SMILES notation for [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(3,3,3-trifluoroprop-1-enyl)pyrazin-2-yl]methanol?
The canonical SMILES for [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(3,3,3-trifluoroprop-1-enyl)pyrazin-2-yl]methanol is NC1c2ccccc2CC12CCN(c1ncc(C=CC(F)(F)F)nc1CO)CC2.
What is the InChIKey of [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(3,3,3-trifluoroprop-1-enyl)pyrazin-2-yl]methanol?
The InChIKey is LJWKOOJFSWNBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O/c22-21(23,24)6-5-15-12-26-19(17(13-29)27-15)28-9-7-20(8-10-28)11-14-3-1-2-4-16(14)18(20)25/h1-6,12,18,29H,7-11,13,25H2.
What are the key properties of [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(3,3,3-trifluoroprop-1-enyl)pyrazin-2-yl]methanol?
[3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(3,3,3-trifluoroprop-1-enyl)pyrazin-2-yl]methanol has a molecular weight of 404.44 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl)-6-(3,3,3-trifluoroprop-1-enyl)pyrazin-2-yl]methanol is sourced from PubChem (CID 175756183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).