3'-(4-bromophenyl)spiro[1,3-dihydroindene-2,4'-piperidine]

C19H20BrN — CID 79433874

IUPAC3'-(4-bromophenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
SMILESBrc1ccc(C2CNCCC23Cc2ccccc2C3)cc1
InChIInChI=1S/C19H20BrN/c20-17-7-5-14(6-8-17)18-13-21-10-9-19(18)11-15-3-1-2-4-16(15)12-19/h1-8,18,21H,9-13H2
InChIKeyBSRAVCKOSJJFMN-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.31
Rot. Bonds1

About 3'-(4-bromophenyl)spiro[1,3-dihydroindene-2,4'-piperidine]

3'-(4-bromophenyl)spiro[1,3-dihydroindene-2,4'-piperidine] (PubChem CID 79433874) has the molecular formula C19H20BrN and a molecular weight of 342.28 g/mol. Its IUPAC name is 3'-(4-bromophenyl)spiro[1,3-dihydroindene-2,4'-piperidine].

Molecular Properties

Compound Name3'-(4-bromophenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
PubChem CID79433874
Molecular FormulaC19H20BrN
Molecular Weight342.28 g/mol
Exact Mass341.08
IUPAC Name3'-(4-bromophenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
SMILESBrc1ccc(C2CNCCC23Cc2ccccc2C3)cc1
InChIInChI=1S/C19H20BrN/c20-17-7-5-14(6-8-17)18-13-21-10-9-19(18)11-15-3-1-2-4-16(15)12-19/h1-8,18,21H,9-13H2
InChIKeyBSRAVCKOSJJFMN-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3'-(4-bromophenyl)spiro[1,3-dihydroindene-2,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3'-(4-bromophenyl)spiro[1,3-dihydroindene-2,4'-piperidine]?
The IUPAC name of 3'-(4-bromophenyl)spiro[1,3-dihydroindene-2,4'-piperidine] (CID 79433874) is 3'-(4-bromophenyl)spiro[1,3-dihydroindene-2,4'-piperidine].
What is the SMILES notation for 3'-(4-bromophenyl)spiro[1,3-dihydroindene-2,4'-piperidine]?
The canonical SMILES for 3'-(4-bromophenyl)spiro[1,3-dihydroindene-2,4'-piperidine] is Brc1ccc(C2CNCCC23Cc2ccccc2C3)cc1.
What is the InChIKey of 3'-(4-bromophenyl)spiro[1,3-dihydroindene-2,4'-piperidine]?
The InChIKey is BSRAVCKOSJJFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN/c20-17-7-5-14(6-8-17)18-13-21-10-9-19(18)11-15-3-1-2-4-16(15)12-19/h1-8,18,21H,9-13H2.
What are the key properties of 3'-(4-bromophenyl)spiro[1,3-dihydroindene-2,4'-piperidine]?
3'-(4-bromophenyl)spiro[1,3-dihydroindene-2,4'-piperidine] has a molecular weight of 342.28 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(4-bromophenyl)spiro[1,3-dihydroindene-2,4'-piperidine] is sourced from PubChem (CID 79433874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).