6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]

C17H25NO — CID 176615898

IUPAC6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]
SMILESCN1CCC2(CC1)Cc1ccc(C(C)(C)C)cc1O2
InChIInChI=1S/C17H25NO/c1-16(2,3)14-6-5-13-12-17(19-15(13)11-14)7-9-18(4)10-8-17/h5-6,11H,7-10,12H2,1-4H3
InChIKeyBKCADCLDRKXWHU-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.38
Rot. Bonds

About 6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]

6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine] (PubChem CID 176615898) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine].

Molecular Properties

Compound Name6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]
PubChem CID176615898
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]
SMILESCN1CCC2(CC1)Cc1ccc(C(C)(C)C)cc1O2
InChIInChI=1S/C17H25NO/c1-16(2,3)14-6-5-13-12-17(19-15(13)11-14)7-9-18(4)10-8-17/h5-6,11H,7-10,12H2,1-4H3
InChIKeyBKCADCLDRKXWHU-UHFFFAOYSA-N
XLogP3.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]?
The IUPAC name of 6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine] (CID 176615898) is 6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine].
What is the SMILES notation for 6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]?
The canonical SMILES for 6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine] is CN1CCC2(CC1)Cc1ccc(C(C)(C)C)cc1O2.
What is the InChIKey of 6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]?
The InChIKey is BKCADCLDRKXWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(2,3)14-6-5-13-12-17(19-15(13)11-14)7-9-18(4)10-8-17/h5-6,11H,7-10,12H2,1-4H3.
What are the key properties of 6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine]?
6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine] has a molecular weight of 259.39 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1'-methylspiro[3H-1-benzofuran-2,4'-piperidine] is sourced from PubChem (CID 176615898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).