1'-benzylspiro[isochromene-1,4'-piperidine]

C20H21NO — CID 11143217

IUPAC1'-benzylspiro[isochromene-1,4'-piperidine]
SMILESC1=Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C20H21NO/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/h1-10,15H,11-14,16H2
InChIKeyAQLWUHZFNYOSNC-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.18
Rot. Bonds2

About 1'-benzylspiro[isochromene-1,4'-piperidine]

1'-benzylspiro[isochromene-1,4'-piperidine] (PubChem CID 11143217) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1'-benzylspiro[isochromene-1,4'-piperidine].

Molecular Properties

Compound Name1'-benzylspiro[isochromene-1,4'-piperidine]
PubChem CID11143217
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1'-benzylspiro[isochromene-1,4'-piperidine]
SMILESC1=Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C20H21NO/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/h1-10,15H,11-14,16H2
InChIKeyAQLWUHZFNYOSNC-UHFFFAOYSA-N
XLogP4.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[isochromene-1,4'-piperidine]?
The IUPAC name of 1'-benzylspiro[isochromene-1,4'-piperidine] (CID 11143217) is 1'-benzylspiro[isochromene-1,4'-piperidine].
What is the SMILES notation for 1'-benzylspiro[isochromene-1,4'-piperidine]?
The canonical SMILES for 1'-benzylspiro[isochromene-1,4'-piperidine] is C1=Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 1'-benzylspiro[isochromene-1,4'-piperidine]?
The InChIKey is AQLWUHZFNYOSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/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/h1-10,15H,11-14,16H2.
What are the key properties of 1'-benzylspiro[isochromene-1,4'-piperidine]?
1'-benzylspiro[isochromene-1,4'-piperidine] has a molecular weight of 291.39 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[isochromene-1,4'-piperidine] is sourced from PubChem (CID 11143217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).