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

C22H27NO2 — CID 53323058

IUPAC2-[1'-(1-phenylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]ethanol
SMILESCC(c1ccccc1)N1CCC2(CC1)OC(CCO)c1ccccc12
InChIInChI=1S/C22H27NO2/c1-17(18-7-3-2-4-8-18)23-14-12-22(13-15-23)20-10-6-5-9-19(20)21(25-22)11-16-24/h2-10,17,21,24H,11-16H2,1H3
InChIKeyIXURNWHCTYEQAY-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.19
Rot. Bonds4

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

2-[1'-(1-phenylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]ethanol (PubChem CID 53323058) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-[1'-(1-phenylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]ethanol.

Molecular Properties

Compound Name2-[1'-(1-phenylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]ethanol
PubChem CID53323058
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name2-[1'-(1-phenylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]ethanol
SMILESCC(c1ccccc1)N1CCC2(CC1)OC(CCO)c1ccccc12
InChIInChI=1S/C22H27NO2/c1-17(18-7-3-2-4-8-18)23-14-12-22(13-15-23)20-10-6-5-9-19(20)21(25-22)11-16-24/h2-10,17,21,24H,11-16H2,1H3
InChIKeyIXURNWHCTYEQAY-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1'-(1-phenylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]ethanol with MolForge

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Related Compounds

(3-Endo,8-Anti)-8-Benzyl-3-(10,11-Dihydro-5h-Dibenzo[a,D][7]annulen-5-Yloxy)-8-Azoniabicyclo[3.2.1]octane
CID 121506
1-(2-Ethoxy-1-phenylethyl)-4-phenylpiperidin-4-ol
CID 44426817
1''-(3-cyclohexyloxypropyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10019485
1''-(2-phenylbutyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10041768
1'-Benzylspiro[isochroman-1,4'-piperidine]
CID 10266413
1''-(2-phenylhexyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10315820
1''-(2-phenylpentyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10359602
1''-(2-phenylpropyl)-3H-spiro[2-benzofuran-1,4''-piperidine]
CID 10380513
1''-[4-Fluorobenzyl]-3H-spiro[[2]benzofuran-1,4''piperidine]
CID 44574529
1-Benzhydryl-4-ethoxy-4-phenylpiperidine
CID 10022129
1-Benzhydryl-4-phenyl-4-propoxypiperidine
CID 10317947
(1S,5R)-8-methyl-3-[(2-methylphenyl)-phenylmethoxy]-8-azabicyclo[3.2.1]octane
CID 10567799

Frequently Asked Questions

What is the IUPAC name of 2-[1'-(1-phenylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]ethanol?
The IUPAC name of 2-[1'-(1-phenylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]ethanol (CID 53323058) is 2-[1'-(1-phenylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]ethanol.
What is the SMILES notation for 2-[1'-(1-phenylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]ethanol?
The canonical SMILES for 2-[1'-(1-phenylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]ethanol is CC(c1ccccc1)N1CCC2(CC1)OC(CCO)c1ccccc12.
What is the InChIKey of 2-[1'-(1-phenylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]ethanol?
The InChIKey is IXURNWHCTYEQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-17(18-7-3-2-4-8-18)23-14-12-22(13-15-23)20-10-6-5-9-19(20)21(25-22)11-16-24/h2-10,17,21,24H,11-16H2,1H3.
What are the key properties of 2-[1'-(1-phenylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]ethanol?
2-[1'-(1-phenylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]ethanol has a molecular weight of 337.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(1-phenylethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]ethanol is sourced from PubChem (CID 53323058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).