5-methyl-1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine]

C16H21NO2 — CID 126683281

IUPAC5-methyl-1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCc1ccc2c(c1)C1(CCN(C3COC3)CC1)OC2
InChIInChI=1S/C16H21NO2/c1-12-2-3-13-9-19-16(15(13)8-12)4-6-17(7-5-16)14-10-18-11-14/h2-3,8,14H,4-7,9-11H2,1H3
InChIKeyNGTDRQDINSWFLD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.22
Rot. Bonds1

About 5-methyl-1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine]

5-methyl-1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine] (PubChem CID 126683281) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-methyl-1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name5-methyl-1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine]
PubChem CID126683281
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name5-methyl-1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine]
SMILESCc1ccc2c(c1)C1(CCN(C3COC3)CC1)OC2
InChIInChI=1S/C16H21NO2/c1-12-2-3-13-9-19-16(15(13)8-12)4-6-17(7-5-16)14-10-18-11-14/h2-3,8,14H,4-7,9-11H2,1H3
InChIKeyNGTDRQDINSWFLD-UHFFFAOYSA-N
XLogP2.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The IUPAC name of 5-methyl-1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine] (CID 126683281) is 5-methyl-1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine].
What is the SMILES notation for 5-methyl-1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The canonical SMILES for 5-methyl-1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine] is Cc1ccc2c(c1)C1(CCN(C3COC3)CC1)OC2.
What is the InChIKey of 5-methyl-1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine]?
The InChIKey is NGTDRQDINSWFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-2-3-13-9-19-16(15(13)8-12)4-6-17(7-5-16)14-10-18-11-14/h2-3,8,14H,4-7,9-11H2,1H3.
What are the key properties of 5-methyl-1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine]?
5-methyl-1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine] has a molecular weight of 259.35 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1'-(oxetan-3-yl)spiro[1H-2-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 126683281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).