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

C20H23N — CID 79432318

IUPAC3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
SMILESCc1cccc(C2CNCCC23Cc2ccccc2C3)c1
InChIInChI=1S/C20H23N/c1-15-5-4-8-16(11-15)19-14-21-10-9-20(19)12-17-6-2-3-7-18(17)13-20/h2-8,11,19,21H,9-10,12-14H2,1H3
InChIKeyXIIIHBCUJNUDRB-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.86
Rot. Bonds1

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

3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine] (PubChem CID 79432318) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is 3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine].

Molecular Properties

Compound Name3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
PubChem CID79432318
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]
SMILESCc1cccc(C2CNCCC23Cc2ccccc2C3)c1
InChIInChI=1S/C20H23N/c1-15-5-4-8-16(11-15)19-14-21-10-9-20(19)12-17-6-2-3-7-18(17)13-20/h2-8,11,19,21H,9-10,12-14H2,1H3
InChIKeyXIIIHBCUJNUDRB-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]?
The IUPAC name of 3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine] (CID 79432318) is 3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine].
What is the SMILES notation for 3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]?
The canonical SMILES for 3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine] is Cc1cccc(C2CNCCC23Cc2ccccc2C3)c1.
What is the InChIKey of 3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]?
The InChIKey is XIIIHBCUJNUDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-15-5-4-8-16(11-15)19-14-21-10-9-20(19)12-17-6-2-3-7-18(17)13-20/h2-8,11,19,21H,9-10,12-14H2,1H3.
What are the key properties of 3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine]?
3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine] has a molecular weight of 277.41 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(3-methylphenyl)spiro[1,3-dihydroindene-2,4'-piperidine] is sourced from PubChem (CID 79432318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).