3-methyl-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol

C17H25NO2 — CID 142182684

IUPAC3-methyl-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol
SMILESCC(C)(CCO)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C17H25NO2/c1-16(2,9-12-19)18-10-7-17(8-11-18)15-6-4-3-5-14(15)13-20-17/h3-6,19H,7-13H2,1-2H3
InChIKeyVYCOIOPHFQVFMS-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.67
Rot. Bonds3

About 3-methyl-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol

3-methyl-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol (PubChem CID 142182684) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-methyl-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol.

Molecular Properties

Compound Name3-methyl-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol
PubChem CID142182684
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-methyl-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol
SMILESCC(C)(CCO)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C17H25NO2/c1-16(2,9-12-19)18-10-7-17(8-11-18)15-6-4-3-5-14(15)13-20-17/h3-6,19H,7-13H2,1-2H3
InChIKeyVYCOIOPHFQVFMS-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-ethylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 10036300
1-(5-methyl-5-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylhexan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 169212749
N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine
CID 18700233
1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 86733482
ethane;spiro[1H-2-benzofuran-3,4'-piperidine]
CID 163403209
(3R)-1'-propan-2-ylspiro[1H-2-benzofuran-3,4'-azepane]
CID 59320735
[4-(2-methylphenyl)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 78322224
[4-(dimethylamino)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 78322536
2-(2-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)sulfanylacetic acid
CID 70254343
1'-[6-(4-chlorophenyl)-2,6-dimethylhept-2-en-4-yl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 142475297
1-(3-methyl-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbut-1-enyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 169212762
spiro[1H-2-benzofuran-3,3'-pyrrolidine]-1'-carboxamide
CID 69477895

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol?
The IUPAC name of 3-methyl-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol (CID 142182684) is 3-methyl-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol.
What is the SMILES notation for 3-methyl-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol?
The canonical SMILES for 3-methyl-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol is CC(C)(CCO)N1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of 3-methyl-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol?
The InChIKey is VYCOIOPHFQVFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2,9-12-19)18-10-7-17(8-11-18)15-6-4-3-5-14(15)13-20-17/h3-6,19H,7-13H2,1-2H3.
What are the key properties of 3-methyl-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol?
3-methyl-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylbutan-1-ol is sourced from PubChem (CID 142182684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).