1'-(1-cyclobutylethyl)spiro[3H-1-benzofuran-2,4'-piperidine]

C18H25NO — CID 66821989

IUPAC1'-(1-cyclobutylethyl)spiro[3H-1-benzofuran-2,4'-piperidine]
SMILESCC(C1CCC1)N1CCC2(CC1)Cc1ccccc1O2
InChIInChI=1S/C18H25NO/c1-14(15-6-4-7-15)19-11-9-18(10-12-19)13-16-5-2-3-8-17(16)20-18/h2-3,5,8,14-15H,4,6-7,9-13H2,1H3
InChIKeyKRUMOCAWIXZJEC-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.64
Rot. Bonds2

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

1'-(1-cyclobutylethyl)spiro[3H-1-benzofuran-2,4'-piperidine] (PubChem CID 66821989) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1'-(1-cyclobutylethyl)spiro[3H-1-benzofuran-2,4'-piperidine].

Molecular Properties

Compound Name1'-(1-cyclobutylethyl)spiro[3H-1-benzofuran-2,4'-piperidine]
PubChem CID66821989
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1'-(1-cyclobutylethyl)spiro[3H-1-benzofuran-2,4'-piperidine]
SMILESCC(C1CCC1)N1CCC2(CC1)Cc1ccccc1O2
InChIInChI=1S/C18H25NO/c1-14(15-6-4-7-15)19-11-9-18(10-12-19)13-16-5-2-3-8-17(16)20-18/h2-3,5,8,14-15H,4,6-7,9-13H2,1H3
InChIKeyKRUMOCAWIXZJEC-UHFFFAOYSA-N
XLogP3.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(1-cyclobutylethyl)spiro[3H-1-benzofuran-2,4'-piperidine]?
The IUPAC name of 1'-(1-cyclobutylethyl)spiro[3H-1-benzofuran-2,4'-piperidine] (CID 66821989) is 1'-(1-cyclobutylethyl)spiro[3H-1-benzofuran-2,4'-piperidine].
What is the SMILES notation for 1'-(1-cyclobutylethyl)spiro[3H-1-benzofuran-2,4'-piperidine]?
The canonical SMILES for 1'-(1-cyclobutylethyl)spiro[3H-1-benzofuran-2,4'-piperidine] is CC(C1CCC1)N1CCC2(CC1)Cc1ccccc1O2.
What is the InChIKey of 1'-(1-cyclobutylethyl)spiro[3H-1-benzofuran-2,4'-piperidine]?
The InChIKey is KRUMOCAWIXZJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-14(15-6-4-7-15)19-11-9-18(10-12-19)13-16-5-2-3-8-17(16)20-18/h2-3,5,8,14-15H,4,6-7,9-13H2,1H3.
What are the key properties of 1'-(1-cyclobutylethyl)spiro[3H-1-benzofuran-2,4'-piperidine]?
1'-(1-cyclobutylethyl)spiro[3H-1-benzofuran-2,4'-piperidine] has a molecular weight of 271.40 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-cyclobutylethyl)spiro[3H-1-benzofuran-2,4'-piperidine] is sourced from PubChem (CID 66821989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).