(1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C22H28N2O3 — CID 56896346

IUPAC(1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCOc1cc(CN2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)cc(OC)c1
InChIInChI=1S/C22H28N2O3/c1-26-16-11-15(12-17(13-16)27-2)14-24-9-7-22(8-10-24)19-6-4-3-5-18(19)20(23)21(22)25/h3-6,11-13,20-21,25H,7-10,14,23H2,1-2H3/t20-,21+/m1/s1
InChIKeyBIAFFTRPQFBCDF-RTWAWAEBSA-N
MW368.48 g/mol
LogP2.61
Rot. Bonds4

About (1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56896346) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID56896346
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCOc1cc(CN2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)cc(OC)c1
InChIInChI=1S/C22H28N2O3/c1-26-16-11-15(12-17(13-16)27-2)14-24-9-7-22(8-10-24)19-6-4-3-5-18(19)20(23)21(22)25/h3-6,11-13,20-21,25H,7-10,14,23H2,1-2H3/t20-,21+/m1/s1
InChIKeyBIAFFTRPQFBCDF-RTWAWAEBSA-N
XLogP2.61
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56915599
N-[(1R,2R)-1'-[(3,5-dimethoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 26281951
[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(4-methoxyphenyl)methanone
CID 56890390
(1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56891779
N-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide
CID 42324711
2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid
CID 56895920
(1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56884912
[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 56895864
1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119041063
N-[(1R,2R)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
CID 42210393
N-[(1S,2S)-2-methoxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
CID 133126917
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56896346) is (1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is COc1cc(CN2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)cc(OC)c1.
What is the InChIKey of (1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is BIAFFTRPQFBCDF-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-16-11-15(12-17(13-16)27-2)14-24-9-7-22(8-10-24)19-6-4-3-5-18(19)20(23)21(22)25/h3-6,11-13,20-21,25H,7-10,14,23H2,1-2H3/t20-,21+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 368.48 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56896346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).