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

C21H25NO2 — CID 11001837

IUPAC2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)ethanol
SMILESOCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C21H25NO2/c23-15-10-20-18-8-4-5-9-19(18)21(24-20)11-13-22(14-12-21)16-17-6-2-1-3-7-17/h1-9,20,23H,10-16H2
InChIKeySKIRPYNHEMTYOI-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.63
Rot. Bonds4

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

2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)ethanol (PubChem CID 11001837) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)ethanol.

Molecular Properties

Compound Name2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)ethanol
PubChem CID11001837
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)ethanol
SMILESOCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C21H25NO2/c23-15-10-20-18-8-4-5-9-19(18)21(24-20)11-13-22(14-12-21)16-17-6-2-1-3-7-17/h1-9,20,23H,10-16H2
InChIKeySKIRPYNHEMTYOI-UHFFFAOYSA-N
XLogP3.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 44474938
CID 44474938
CID 50994498
CID 50994498
CID 57402462
CID 57402462
CID 10019485
CID 10019485
CID 10041768
CID 10041768
CID 10245905
CID 10245905
CID 10266413
CID 10266413
CID 10315820
CID 10315820
CID 10359602
CID 10359602
CID 10380513
CID 10380513
CID 44574529
CID 44574529
CID 44574435
CID 44574435

Frequently Asked Questions

What is the IUPAC name of 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)ethanol?
The IUPAC name of 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)ethanol (CID 11001837) is 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)ethanol.
What is the SMILES notation for 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)ethanol?
The canonical SMILES for 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)ethanol is OCCC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)ethanol?
The InChIKey is SKIRPYNHEMTYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-15-10-20-18-8-4-5-9-19(18)21(24-20)11-13-22(14-12-21)16-17-6-2-1-3-7-17/h1-9,20,23H,10-16H2.
What are the key properties of 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)ethanol?
2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)ethanol has a molecular weight of 323.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl)ethanol is sourced from PubChem (CID 11001837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).