(1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C19H20F3N3O — CID 56896094

IUPAC(1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESN[C@@H]1c2ccccc2C2(CCN(c3ncccc3C(F)(F)F)CC2)[C@H]1O
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)14-6-3-9-24-17(14)25-10-7-18(8-11-25)13-5-2-1-4-12(13)15(23)16(18)26/h1-6,9,15-16,26H,7-8,10-11,23H2/t15-,16+/m1/s1
InChIKeyYJGRRECPNINPED-CVEARBPZSA-N
MW363.38 g/mol
LogP3.01
Rot. Bonds1

About (1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56896094) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is (1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID56896094
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name(1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESN[C@@H]1c2ccccc2C2(CCN(c3ncccc3C(F)(F)F)CC2)[C@H]1O
InChIInChI=1S/C19H20F3N3O/c20-19(21,22)14-6-3-9-24-17(14)25-10-7-18(8-11-25)13-5-2-1-4-12(13)15(23)16(18)26/h1-6,9,15-16,26H,7-8,10-11,23H2/t15-,16+/m1/s1
InChIKeyYJGRRECPNINPED-CVEARBPZSA-N
XLogP3.01
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56896094) is (1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is N[C@@H]1c2ccccc2C2(CCN(c3ncccc3C(F)(F)F)CC2)[C@H]1O.
What is the InChIKey of (1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is YJGRRECPNINPED-CVEARBPZSA-N. The full InChI is InChI=1S/C19H20F3N3O/c20-19(21,22)14-6-3-9-24-17(14)25-10-7-18(8-11-25)13-5-2-1-4-12(13)15(23)16(18)26/h1-6,9,15-16,26H,7-8,10-11,23H2/t15-,16+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 363.38 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56896094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).