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

C23H24BrNO — CID 10250990

IUPAC(2R,3R)-3-(2-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C(Br)=Cc1ccccc12
InChIInChI=1S/C23H24BrNO/c24-22-15-18-7-3-4-8-19(18)23(22)9-11-25(12-10-23)20-13-16-5-1-2-6-17(16)14-21(20)26/h1-8,15,20-21,26H,9-14H2/t20-,21-/m1/s1
InChIKeyQAVMATCJPBGTSO-NHCUHLMSSA-N
MW410.36 g/mol
LogP4.30
Rot. Bonds1

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

(2R,3R)-3-(2-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 10250990) has the molecular formula C23H24BrNO and a molecular weight of 410.36 g/mol. Its IUPAC name is (2R,3R)-3-(2-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-(2-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID10250990
Molecular FormulaC23H24BrNO
Molecular Weight410.36 g/mol
Exact Mass409.10
IUPAC Name(2R,3R)-3-(2-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C(Br)=Cc1ccccc12
InChIInChI=1S/C23H24BrNO/c24-22-15-18-7-3-4-8-19(18)23(22)9-11-25(12-10-23)20-13-16-5-1-2-6-17(16)14-21(20)26/h1-8,15,20-21,26H,9-14H2/t20-,21-/m1/s1
InChIKeyQAVMATCJPBGTSO-NHCUHLMSSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(2-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2R,3R)-3-(2-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (CID 10250990) is (2R,3R)-3-(2-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2R,3R)-3-(2-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2R,3R)-3-(2-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CC1)C(Br)=Cc1ccccc12.
What is the InChIKey of (2R,3R)-3-(2-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is QAVMATCJPBGTSO-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H24BrNO/c24-22-15-18-7-3-4-8-19(18)23(22)9-11-25(12-10-23)20-13-16-5-1-2-6-17(16)14-21(20)26/h1-8,15,20-21,26H,9-14H2/t20-,21-/m1/s1.
What are the key properties of (2R,3R)-3-(2-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
(2R,3R)-3-(2-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 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(2-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 10250990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).