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

C20H26N2OS — CID 31162599

IUPAC(1R,2R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCc1ccsc1CN(C)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C20H26N2OS/c1-14-7-12-24-17(14)13-22(2)18-15-5-3-4-6-16(15)20(19(18)23)8-10-21-11-9-20/h3-7,12,18-19,21,23H,8-11,13H2,1-2H3/t18-,19+/m1/s1
InChIKeyQTXZNBCTHGRNPJ-MOPGFXCFSA-N
MW342.51 g/mol
LogP3.23
Rot. Bonds3

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

(1R,2R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 31162599) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is (1R,2R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID31162599
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name(1R,2R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCc1ccsc1CN(C)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C20H26N2OS/c1-14-7-12-24-17(14)13-22(2)18-15-5-3-4-6-16(15)20(19(18)23)8-10-21-11-9-20/h3-7,12,18-19,21,23H,8-11,13H2,1-2H3/t18-,19+/m1/s1
InChIKeyQTXZNBCTHGRNPJ-MOPGFXCFSA-N
XLogP3.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31015982
(1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133112951
(1R,2R)-1-[methyl(pyrazin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31004078
(1R,2R)-1-[methyl(quinolin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31193627
(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 154887408
(1R,2R)-1-[methyl(4-morpholin-4-ylbutyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 30876916
(1S,2R)-spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol
CID 131859580
(1R,2R)-1-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 154924363
(1R,2R)-1-[methyl(3-morpholin-4-ylpropyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 154889311
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119689284
(1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133128337
N-methyl-4-[(2-methyl-3-pyridinyl)oxy]-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 50956151

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 31162599) is (1R,2R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is Cc1ccsc1CN(C)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O.
What is the InChIKey of (1R,2R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is QTXZNBCTHGRNPJ-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-14-7-12-24-17(14)13-22(2)18-15-5-3-4-6-16(15)20(19(18)23)8-10-21-11-9-20/h3-7,12,18-19,21,23H,8-11,13H2,1-2H3/t18-,19+/m1/s1.
What are the key properties of (1R,2R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 342.51 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 31162599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).