(2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

C23H24BrNO — CID 10454205

IUPAC(2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(C=Cc3c(Br)cccc32)CC1
InChIInChI=1S/C23H24BrNO/c24-20-7-3-6-19-18(20)8-9-23(19)10-12-25(13-11-23)21-14-16-4-1-2-5-17(16)15-22(21)26/h1-9,21-22,26H,10-15H2/t21-,22-/m1/s1
InChIKeyGHVUCNXWUFIXCI-FGZHOGPDSA-N
MW410.36 g/mol
LogP4.34
Rot. Bonds1

About (2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

(2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 10454205) has the molecular formula C23H24BrNO and a molecular weight of 410.36 g/mol. Its IUPAC name is (2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID10454205
Molecular FormulaC23H24BrNO
Molecular Weight410.36 g/mol
Exact Mass409.10
IUPAC Name(2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(C=Cc3c(Br)cccc32)CC1
InChIInChI=1S/C23H24BrNO/c24-20-7-3-6-19-18(20)8-9-23(19)10-12-25(13-11-23)21-14-16-4-1-2-5-17(16)15-22(21)26/h1-9,21-22,26H,10-15H2/t21-,22-/m1/s1
InChIKeyGHVUCNXWUFIXCI-FGZHOGPDSA-N
XLogP4.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (CID 10454205) is (2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(C=Cc3c(Br)cccc32)CC1.
What is the InChIKey of (2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is GHVUCNXWUFIXCI-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H24BrNO/c24-20-7-3-6-19-18(20)8-9-23(19)10-12-25(13-11-23)21-14-16-4-1-2-5-17(16)15-22(21)26/h1-9,21-22,26H,10-15H2/t21-,22-/m1/s1.
What are the key properties of (2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
(2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 410.36 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 10454205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).