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

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Related Compounds

3'-(4-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 79432560
3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 79432318
3'-propylspiro[1,3-dihydroindene-2,4'-piperidine]
CID 79320324
3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]
CID 79321001
6-phenyl-2-thia-8-azaspiro[4.5]decane
CID 79309118
(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 139512047
11-(3-bromophenyl)-3-oxa-9-azaspiro[5.5]undecane
CID 79432043
5-(3-bromophenyl)-9,9-dimethyl-3-azaspiro[5.5]undecane
CID 79433285
3-methyl-11-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 79441383
6-bromospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 175083255
5-(4-chlorophenyl)-3-azaspiro[5.5]undecane
CID 79434527
5-(4-methylphenyl)-3-azaspiro[5.6]dodecane
CID 79441835

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).