(1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C22H30N2O2 — CID 29212418

IUPAC(1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCc1cc(CN2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)oc1C
InChIInChI=1S/C22H30N2O2/c1-15-13-17(26-16(15)2)14-24-11-9-22(10-12-24)19-8-6-5-7-18(19)20(21(22)25)23(3)4/h5-8,13,20-21,25H,9-12,14H2,1-4H3/t20-,21+/m1/s1
InChIKeyYDHZVMRWGCKJJF-RTWAWAEBSA-N
MW354.49 g/mol
LogP3.41
Rot. Bonds3

About (1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 29212418) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is (1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID29212418
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name(1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCc1cc(CN2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)oc1C
InChIInChI=1S/C22H30N2O2/c1-15-13-17(26-16(15)2)14-24-11-9-22(10-12-24)19-8-6-5-7-18(19)20(21(22)25)23(3)4/h5-8,13,20-21,25H,9-12,14H2,1-4H3/t20-,21+/m1/s1
InChIKeyYDHZVMRWGCKJJF-RTWAWAEBSA-N
XLogP3.41
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S)-1-(dimethylamino)-1'-[(3-fluoro-2-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133125032
[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone
CID 28635017
(1R,2R)-1-(dimethylamino)-1'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 154888066
1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one
CID 29154316
4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one
CID 133118830
2-[(1R,2R)-2-hydroxy-1-[3-methoxypropyl(methyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid
CID 28849484
[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylpyrrol-2-yl)methanone
CID 29254130
(E)-1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 29102845
(2R)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 95725868
(1R,2R)-1-[methyl(4-morpholin-4-ylbutyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 30876916
cyclopentyl-[(1R,2R)-2-hydroxy-1-[methyl(propyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone
CID 28735727
(1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56896346

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 29212418) is (1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is Cc1cc(CN2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)oc1C.
What is the InChIKey of (1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is YDHZVMRWGCKJJF-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-15-13-17(26-16(15)2)14-24-11-9-22(10-12-24)19-8-6-5-7-18(19)20(21(22)25)23(3)4/h5-8,13,20-21,25H,9-12,14H2,1-4H3/t20-,21+/m1/s1.
What are the key properties of (1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 354.49 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 29212418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).