(1R,2R)-1-amino-1'-[(3-chloro-4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C20H22ClFN2O — CID 56904337

IUPAC(1R,2R)-1-amino-1'-[(3-chloro-4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESN[C@@H]1c2ccccc2C2(CCN(Cc3ccc(F)c(Cl)c3)CC2)[C@H]1O
InChIInChI=1S/C20H22ClFN2O/c21-16-11-13(5-6-17(16)22)12-24-9-7-20(8-10-24)15-4-2-1-3-14(15)18(23)19(20)25/h1-6,11,18-19,25H,7-10,12,23H2/t18-,19+/m1/s1
InChIKeyWAUDAGRYMMXCHL-MOPGFXCFSA-N
MW360.86 g/mol
LogP3.39
Rot. Bonds2

About (1R,2R)-1-amino-1'-[(3-chloro-4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-amino-1'-[(3-chloro-4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56904337) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is (1R,2R)-1-amino-1'-[(3-chloro-4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1'-[(3-chloro-4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID56904337
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC Name(1R,2R)-1-amino-1'-[(3-chloro-4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESN[C@@H]1c2ccccc2C2(CCN(Cc3ccc(F)c(Cl)c3)CC2)[C@H]1O
InChIInChI=1S/C20H22ClFN2O/c21-16-11-13(5-6-17(16)22)12-24-9-7-20(8-10-24)15-4-2-1-3-14(15)18(23)19(20)25/h1-6,11,18-19,25H,7-10,12,23H2/t18-,19+/m1/s1
InChIKeyWAUDAGRYMMXCHL-MOPGFXCFSA-N
XLogP3.39
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2R)-1-amino-1'-[(3-chloro-4-fluorophenyl)methyl]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-chloro-4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-amino-1'-[(3-chloro-4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56904337) is (1R,2R)-1-amino-1'-[(3-chloro-4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1'-[(3-chloro-4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1'-[(3-chloro-4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is N[C@@H]1c2ccccc2C2(CCN(Cc3ccc(F)c(Cl)c3)CC2)[C@H]1O.
What is the InChIKey of (1R,2R)-1-amino-1'-[(3-chloro-4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is WAUDAGRYMMXCHL-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c21-16-11-13(5-6-17(16)22)12-24-9-7-20(8-10-24)15-4-2-1-3-14(15)18(23)19(20)25/h1-6,11,18-19,25H,7-10,12,23H2/t18-,19+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1'-[(3-chloro-4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-amino-1'-[(3-chloro-4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 360.86 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1'-[(3-chloro-4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56904337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).