1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]

C20H23NO — CID 10266413

IUPAC1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)OCCc2ccccc23)cc1
InChIInChI=1S/C20H23NO/c1-2-6-17(7-3-1)16-21-13-11-20(12-14-21)19-9-5-4-8-18(19)10-15-22-20/h1-9H,10-16H2
InChIKeyXEDYSHNIVSNKMV-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.75
Rot. Bonds2

About 1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]

1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine] (PubChem CID 10266413) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine].

Molecular Properties

Compound Name1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]
PubChem CID10266413
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)OCCc2ccccc23)cc1
InChIInChI=1S/C20H23NO/c1-2-6-17(7-3-1)16-21-13-11-20(12-14-21)19-9-5-4-8-18(19)10-15-22-20/h1-9H,10-16H2
InChIKeyXEDYSHNIVSNKMV-UHFFFAOYSA-N
XLogP3.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The IUPAC name of 1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine] (CID 10266413) is 1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine].
What is the SMILES notation for 1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The canonical SMILES for 1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine] is c1ccc(CN2CCC3(CC2)OCCc2ccccc23)cc1.
What is the InChIKey of 1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The InChIKey is XEDYSHNIVSNKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-2-6-17(7-3-1)16-21-13-11-20(12-14-21)19-9-5-4-8-18(19)10-15-22-20/h1-9H,10-16H2.
What are the key properties of 1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]?
1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine] has a molecular weight of 293.41 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine] is sourced from PubChem (CID 10266413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).