2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)ethanol

C22H27NO2 — CID 11013162

IUPAC2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)ethanol
SMILESOCCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C22H27NO2/c24-15-10-20-16-19-8-4-5-9-21(19)22(25-20)11-13-23(14-12-22)17-18-6-2-1-3-7-18/h1-9,20,24H,10-17H2
InChIKeyGUMKVHJWYPTYLU-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.50
Rot. Bonds4

About 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)ethanol

2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)ethanol (PubChem CID 11013162) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)ethanol.

Molecular Properties

Compound Name2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)ethanol
PubChem CID11013162
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)ethanol
SMILESOCCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
InChIInChI=1S/C22H27NO2/c24-15-10-20-16-19-8-4-5-9-21(19)22(25-20)11-13-23(14-12-22)17-18-6-2-1-3-7-18/h1-9,20,24H,10-17H2
InChIKeyGUMKVHJWYPTYLU-UHFFFAOYSA-N
XLogP3.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)ethanol?
The IUPAC name of 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)ethanol (CID 11013162) is 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)ethanol.
What is the SMILES notation for 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)ethanol?
The canonical SMILES for 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)ethanol is OCCC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1.
What is the InChIKey of 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)ethanol?
The InChIKey is GUMKVHJWYPTYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c24-15-10-20-16-19-8-4-5-9-21(19)22(25-20)11-13-23(14-12-22)17-18-6-2-1-3-7-18/h1-9,20,24H,10-17H2.
What are the key properties of 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)ethanol?
2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)ethanol has a molecular weight of 337.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-benzylspiro[3,4-dihydroisochromene-1,4'-piperidine]-3-yl)ethanol is sourced from PubChem (CID 11013162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).