(1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C22H26N2O — CID 30957280

IUPAC(1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1[C@H](N2CCc3ccccc3C2)c2ccccc2C12CCNCC2
InChIInChI=1S/C22H26N2O/c25-21-20(24-14-9-16-5-1-2-6-17(16)15-24)18-7-3-4-8-19(18)22(21)10-12-23-13-11-22/h1-8,20-21,23,25H,9-15H2/t20-,21+/m1/s1
InChIKeyHMKGOXAFXHVXCJ-RTWAWAEBSA-N
MW334.46 g/mol
LogP2.78
Rot. Bonds1

About (1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 30957280) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is (1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID30957280
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name(1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1[C@H](N2CCc3ccccc3C2)c2ccccc2C12CCNCC2
InChIInChI=1S/C22H26N2O/c25-21-20(24-14-9-16-5-1-2-6-17(16)15-24)18-7-3-4-8-19(18)22(21)10-12-23-13-11-22/h1-8,20-21,23,25H,9-15H2/t20-,21+/m1/s1
InChIKeyHMKGOXAFXHVXCJ-RTWAWAEBSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 30957280) is (1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is O[C@H]1[C@H](N2CCc3ccccc3C2)c2ccccc2C12CCNCC2.
What is the InChIKey of (1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is HMKGOXAFXHVXCJ-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H26N2O/c25-21-20(24-14-9-16-5-1-2-6-17(16)15-24)18-7-3-4-8-19(18)22(21)10-12-23-13-11-22/h1-8,20-21,23,25H,9-15H2/t20-,21+/m1/s1.
What are the key properties of (1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 334.46 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 30957280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).