(1R,2R)-1-(2-pyridin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C20H25N3O — CID 56913814

IUPAC(1R,2R)-1-(2-pyridin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1[C@H](NCCc2ccccn2)c2ccccc2C12CCNCC2
InChIInChI=1S/C20H25N3O/c24-19-18(23-12-8-15-5-3-4-11-22-15)16-6-1-2-7-17(16)20(19)9-13-21-14-10-20/h1-7,11,18-19,21,23-24H,8-10,12-14H2/t18-,19+/m1/s1
InChIKeyYIBRQEROKOKQJJ-MOPGFXCFSA-N
MW323.44 g/mol
LogP1.95
Rot. Bonds4

About (1R,2R)-1-(2-pyridin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-(2-pyridin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56913814) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (1R,2R)-1-(2-pyridin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-(2-pyridin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID56913814
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(1R,2R)-1-(2-pyridin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1[C@H](NCCc2ccccn2)c2ccccc2C12CCNCC2
InChIInChI=1S/C20H25N3O/c24-19-18(23-12-8-15-5-3-4-11-22-15)16-6-1-2-7-17(16)20(19)9-13-21-14-10-20/h1-7,11,18-19,21,23-24H,8-10,12-14H2/t18-,19+/m1/s1
InChIKeyYIBRQEROKOKQJJ-MOPGFXCFSA-N
XLogP1.95
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(2-pyridin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-(2-pyridin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56913814) is (1R,2R)-1-(2-pyridin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-(2-pyridin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-(2-pyridin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is O[C@H]1[C@H](NCCc2ccccn2)c2ccccc2C12CCNCC2.
What is the InChIKey of (1R,2R)-1-(2-pyridin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is YIBRQEROKOKQJJ-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H25N3O/c24-19-18(23-12-8-15-5-3-4-11-22-15)16-6-1-2-7-17(16)20(19)9-13-21-14-10-20/h1-7,11,18-19,21,23-24H,8-10,12-14H2/t18-,19+/m1/s1.
What are the key properties of (1R,2R)-1-(2-pyridin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-(2-pyridin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 323.44 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(2-pyridin-2-ylethylamino)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56913814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).