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

C20H24N2O2 — CID 56915599

IUPAC(1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESN[C@@H]1c2ccccc2C2(CCN(Cc3cccc(O)c3)CC2)[C@H]1O
InChIInChI=1S/C20H24N2O2/c21-18-16-6-1-2-7-17(16)20(19(18)24)8-10-22(11-9-20)13-14-4-3-5-15(23)12-14/h1-7,12,18-19,23-24H,8-11,13,21H2/t18-,19+/m1/s1
InChIKeyRXBZGLXCBQXRBC-MOPGFXCFSA-N
MW324.42 g/mol
LogP2.30
Rot. Bonds2

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

(1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56915599) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID56915599
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESN[C@@H]1c2ccccc2C2(CCN(Cc3cccc(O)c3)CC2)[C@H]1O
InChIInChI=1S/C20H24N2O2/c21-18-16-6-1-2-7-17(16)20(19(18)24)8-10-22(11-9-20)13-14-4-3-5-15(23)12-14/h1-7,12,18-19,23-24H,8-11,13,21H2/t18-,19+/m1/s1
InChIKeyRXBZGLXCBQXRBC-MOPGFXCFSA-N
XLogP2.30
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol with MolForge

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Related Compounds

(1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56896346
(1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56891779
(1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56884912
2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid
CID 56895920
3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol
CID 82983068
1-[(3-hydroxyphenyl)methyl]-4-methylpiperidine-4-carbothioamide
CID 107161649
3-[(3-aminopyrrolidin-1-yl)methyl]phenol
CID 22966382
N-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide
CID 42324711
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
CID 126792256
1'-[(3-morpholin-4-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56897611
3-[[4-(2-bromoethyl)piperazin-1-yl]methyl]phenol
CID 80673903

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56915599) is (1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is N[C@@H]1c2ccccc2C2(CCN(Cc3cccc(O)c3)CC2)[C@H]1O.
What is the InChIKey of (1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is RXBZGLXCBQXRBC-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H24N2O2/c21-18-16-6-1-2-7-17(16)20(19(18)24)8-10-22(11-9-20)13-14-4-3-5-15(23)12-14/h1-7,12,18-19,23-24H,8-11,13,21H2/t18-,19+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 324.42 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56915599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).