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

C22H28N2O3 — CID 56896122

IUPAC(1R,2R)-1-[(3,4-dimethoxyphenyl)methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCOc1ccc(CN[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)cc1OC
InChIInChI=1S/C22H28N2O3/c1-26-18-8-7-15(13-19(18)27-2)14-24-20-16-5-3-4-6-17(16)22(21(20)25)9-11-23-12-10-22/h3-8,13,20-21,23-25H,9-12,14H2,1-2H3/t20-,21+/m1/s1
InChIKeyUIAZJNYAMHNNMH-RTWAWAEBSA-N
MW368.48 g/mol
LogP2.53
Rot. Bonds5

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

(1R,2R)-1-[(3,4-dimethoxyphenyl)methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56896122) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (1R,2R)-1-[(3,4-dimethoxyphenyl)methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[(3,4-dimethoxyphenyl)methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID56896122
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(1R,2R)-1-[(3,4-dimethoxyphenyl)methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCOc1ccc(CN[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)cc1OC
InChIInChI=1S/C22H28N2O3/c1-26-18-8-7-15(13-19(18)27-2)14-24-20-16-5-3-4-6-17(16)22(21(20)25)9-11-23-12-10-22/h3-8,13,20-21,23-25H,9-12,14H2,1-2H3/t20-,21+/m1/s1
InChIKeyUIAZJNYAMHNNMH-RTWAWAEBSA-N
XLogP2.53
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (1R,2R)-1-[(3,4-dimethoxyphenyl)methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol with MolForge

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Related Compounds

2-(2-methoxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133115310
(1S,2R)-spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol
CID 131859580
1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 71922621
2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133138249
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630974
N-[(3,4-dimethoxyphenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65082764
4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618412
(1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133112951
N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119674836
4-[[[(1R,2R)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol
CID 100717336
4-[[[(1S,2S)-2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-methoxyphenol
CID 100717360
(1R,2S)-1-[(3-methoxy-4-methylsulfanylphenyl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 49463094

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[(3,4-dimethoxyphenyl)methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[(3,4-dimethoxyphenyl)methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56896122) is (1R,2R)-1-[(3,4-dimethoxyphenyl)methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[(3,4-dimethoxyphenyl)methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[(3,4-dimethoxyphenyl)methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is COc1ccc(CN[C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)cc1OC.
What is the InChIKey of (1R,2R)-1-[(3,4-dimethoxyphenyl)methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is UIAZJNYAMHNNMH-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-18-8-7-15(13-19(18)27-2)14-24-20-16-5-3-4-6-17(16)22(21(20)25)9-11-23-12-10-22/h3-8,13,20-21,23-25H,9-12,14H2,1-2H3/t20-,21+/m1/s1.
What are the key properties of (1R,2R)-1-[(3,4-dimethoxyphenyl)methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[(3,4-dimethoxyphenyl)methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 368.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[(3,4-dimethoxyphenyl)methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56896122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).