2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol

C14H19NO2 — CID 83854136

IUPAC2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol
SMILESOCCC1OC2(CCNCC2)c2ccccc21
InChIInChI=1S/C14H19NO2/c16-10-5-13-11-3-1-2-4-12(11)14(17-13)6-8-15-9-7-14/h1-4,13,15-16H,5-10H2
InChIKeyLZZHPCJARUCUDE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.72
Rot. Bonds2

About 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol

2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol (PubChem CID 83854136) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol.

Molecular Properties

Compound Name2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol
PubChem CID83854136
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol
SMILESOCCC1OC2(CCNCC2)c2ccccc21
InChIInChI=1S/C14H19NO2/c16-10-5-13-11-3-1-2-4-12(11)14(17-13)6-8-15-9-7-14/h1-4,13,15-16H,5-10H2
InChIKeyLZZHPCJARUCUDE-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 71193661
1-thiophen-2-ylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 21428781
(1R)-1-benzyl-4-fluorospiro[1H-2-benzofuran-3,4'-piperidine]
CID 91095889
1-pyridin-3-ylspiro[1H-2-benzofuran-3,4'-piperidine];hydrobromide
CID 21428792
4-(2-cyclobutylphenyl)-4-fluoropiperidine
CID 114607386
1-ethylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxylate
CID 91666200
(1S,2R)-spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol
CID 131859580
[1-(2-piperidin-4-ylphenyl)cyclopropyl]methanol
CID 117116545
[1-(benzenesulfonyl)piperidin-3-yl]-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone
CID 91555731
(3-propan-2-yloxy-1-benzothiophen-2-yl)-[(1R)-spiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]methanone
CID 90747155
ethane;spiro[1H-2-benzofuran-3,4'-piperidine]
CID 163403209
4-fluoro-4-(2-methylphenyl)piperidine
CID 69232265

Frequently Asked Questions

What is the IUPAC name of 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol?
The IUPAC name of 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol (CID 83854136) is 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol.
What is the SMILES notation for 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol?
The canonical SMILES for 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol is OCCC1OC2(CCNCC2)c2ccccc21.
What is the InChIKey of 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol?
The InChIKey is LZZHPCJARUCUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-10-5-13-11-3-1-2-4-12(11)14(17-13)6-8-15-9-7-14/h1-4,13,15-16H,5-10H2.
What are the key properties of 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol?
2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol has a molecular weight of 233.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1-ylethanol is sourced from PubChem (CID 83854136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).