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

C23H28N2 — CID 11602409

IUPAC1'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESc1ccc2c(c1)CNC(CN1CCC3(CCc4ccccc43)CC1)C2
InChIInChI=1S/C23H28N2/c1-2-7-20-16-24-21(15-19(20)6-1)17-25-13-11-23(12-14-25)10-9-18-5-3-4-8-22(18)23/h1-8,21,24H,9-17H2
InChIKeyCTEQSPIFLRGKGG-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.68
Rot. Bonds2

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

1'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 11602409) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Name1'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID11602409
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name1'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
SMILESc1ccc2c(c1)CNC(CN1CCC3(CCc4ccccc43)CC1)C2
InChIInChI=1S/C23H28N2/c1-2-7-20-16-24-21(15-19(20)6-1)17-25-13-11-23(12-14-25)10-9-18-5-3-4-8-22(18)23/h1-8,21,24H,9-17H2
InChIKeyCTEQSPIFLRGKGG-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The IUPAC name of 1'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] (CID 11602409) is 1'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for 1'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for 1'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] is c1ccc2c(c1)CNC(CN1CCC3(CCc4ccccc43)CC1)C2.
What is the InChIKey of 1'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is CTEQSPIFLRGKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-2-7-20-16-24-21(15-19(20)6-1)17-25-13-11-23(12-14-25)10-9-18-5-3-4-8-22(18)23/h1-8,21,24H,9-17H2.
What are the key properties of 1'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]?
1'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 332.49 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine] is sourced from PubChem (CID 11602409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).