(2R,3R)-3-(6-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

C23H24BrNO — CID 10454206

IUPAC(2R,3R)-3-(6-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(C=Cc3ccc(Br)cc32)CC1
InChIInChI=1S/C23H24BrNO/c24-19-6-5-16-7-8-23(20(16)15-19)9-11-25(12-10-23)21-13-17-3-1-2-4-18(17)14-22(21)26/h1-8,15,21-22,26H,9-14H2/t21-,22-/m1/s1
InChIKeyRNDYFUDMQKJKSU-FGZHOGPDSA-N
MW410.36 g/mol
LogP4.34
Rot. Bonds1

About (2R,3R)-3-(6-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

(2R,3R)-3-(6-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 10454206) has the molecular formula C23H24BrNO and a molecular weight of 410.36 g/mol. Its IUPAC name is (2R,3R)-3-(6-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-(6-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID10454206
Molecular FormulaC23H24BrNO
Molecular Weight410.36 g/mol
Exact Mass409.10
IUPAC Name(2R,3R)-3-(6-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(C=Cc3ccc(Br)cc32)CC1
InChIInChI=1S/C23H24BrNO/c24-19-6-5-16-7-8-23(20(16)15-19)9-11-25(12-10-23)21-13-17-3-1-2-4-18(17)14-22(21)26/h1-8,15,21-22,26H,9-14H2/t21-,22-/m1/s1
InChIKeyRNDYFUDMQKJKSU-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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Related Compounds

1'-(2-Hydroxy-1,2,3,4-tetrahydronaphth-3-yl)spiro(1H-indene-1,4'-piperidine)
CID 3083476
Benzovesamicol
CID 15925918
(2R,3R)-3-spiro[indene-1,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 9862398
(2R,3R)-3-(5-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 10047150
(2R,3R)-3-(2-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 10250990
(2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 10454205
3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrahydro-naphthalen-2-ol
CID 15925916
(2R,3R)-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 10450381
(2R)-1-(4-bromophenyl)-3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-ol
CID 44350886
(4aS,8aS)-3-[4-(2-bromophenyl)piperidin-1-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 66560517
(2R,3R)-3-(4-benzylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 122181074
3-(5-Fluorospiro[indene-1,4'-piperidin]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 172651840

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(6-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2R,3R)-3-(6-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (CID 10454206) is (2R,3R)-3-(6-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2R,3R)-3-(6-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2R,3R)-3-(6-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(C=Cc3ccc(Br)cc32)CC1.
What is the InChIKey of (2R,3R)-3-(6-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is RNDYFUDMQKJKSU-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H24BrNO/c24-19-6-5-16-7-8-23(20(16)15-19)9-11-25(12-10-23)21-13-17-3-1-2-4-18(17)14-22(21)26/h1-8,15,21-22,26H,9-14H2/t21-,22-/m1/s1.
What are the key properties of (2R,3R)-3-(6-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
(2R,3R)-3-(6-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-(6-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 10454206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).