(2R,3R)-3-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

C23H28N2O — CID 10807685

IUPAC(2R,3R)-3-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCN1CC2(CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)c2ccccc21
InChIInChI=1S/C23H28N2O/c1-24-16-23(19-8-4-5-9-20(19)24)10-12-25(13-11-23)21-14-17-6-2-3-7-18(17)15-22(21)26/h2-9,21-22,26H,10-16H2,1H3/t21-,22-/m1/s1
InChIKeyUHERVQZCMKWLRN-FGZHOGPDSA-N
MW348.49 g/mol
LogP3.00
Rot. Bonds1

About (2R,3R)-3-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

(2R,3R)-3-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 10807685) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is (2R,3R)-3-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID10807685
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name(2R,3R)-3-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCN1CC2(CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)c2ccccc21
InChIInChI=1S/C23H28N2O/c1-24-16-23(19-8-4-5-9-20(19)24)10-12-25(13-11-23)21-14-17-6-2-3-7-18(17)15-22(21)26/h2-9,21-22,26H,10-16H2,1H3/t21-,22-/m1/s1
InChIKeyUHERVQZCMKWLRN-FGZHOGPDSA-N
XLogP3.00
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2R,3R)-3-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (CID 10807685) is (2R,3R)-3-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2R,3R)-3-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2R,3R)-3-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is CN1CC2(CCN([C@@H]3Cc4ccccc4C[C@H]3O)CC2)c2ccccc21.
What is the InChIKey of (2R,3R)-3-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is UHERVQZCMKWLRN-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H28N2O/c1-24-16-23(19-8-4-5-9-20(19)24)10-12-25(13-11-23)21-14-17-6-2-3-7-18(17)15-22(21)26/h2-9,21-22,26H,10-16H2,1H3/t21-,22-/m1/s1.
What are the key properties of (2R,3R)-3-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
(2R,3R)-3-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 348.49 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 10807685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).