1'-tert-butylspiro[3H-1-benzofuran-2,4'-piperidine]

C16H23NO — CID 59367726

IUPAC1'-tert-butylspiro[3H-1-benzofuran-2,4'-piperidine]
SMILESCC(C)(C)N1CCC2(CC1)Cc1ccccc1O2
InChIInChI=1S/C16H23NO/c1-15(2,3)17-10-8-16(9-11-17)12-13-6-4-5-7-14(13)18-16/h4-7H,8-12H2,1-3H3
InChIKeyMAOGDAWXYYRKEA-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.25
Rot. Bonds

About 1'-tert-butylspiro[3H-1-benzofuran-2,4'-piperidine]

1'-tert-butylspiro[3H-1-benzofuran-2,4'-piperidine] (PubChem CID 59367726) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1'-tert-butylspiro[3H-1-benzofuran-2,4'-piperidine].

Molecular Properties

Compound Name1'-tert-butylspiro[3H-1-benzofuran-2,4'-piperidine]
PubChem CID59367726
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1'-tert-butylspiro[3H-1-benzofuran-2,4'-piperidine]
SMILESCC(C)(C)N1CCC2(CC1)Cc1ccccc1O2
InChIInChI=1S/C16H23NO/c1-15(2,3)17-10-8-16(9-11-17)12-13-6-4-5-7-14(13)18-16/h4-7H,8-12H2,1-3H3
InChIKeyMAOGDAWXYYRKEA-UHFFFAOYSA-N
XLogP3.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-tert-butylspiro[3H-1-benzofuran-2,4'-piperidine]?
The IUPAC name of 1'-tert-butylspiro[3H-1-benzofuran-2,4'-piperidine] (CID 59367726) is 1'-tert-butylspiro[3H-1-benzofuran-2,4'-piperidine].
What is the SMILES notation for 1'-tert-butylspiro[3H-1-benzofuran-2,4'-piperidine]?
The canonical SMILES for 1'-tert-butylspiro[3H-1-benzofuran-2,4'-piperidine] is CC(C)(C)N1CCC2(CC1)Cc1ccccc1O2.
What is the InChIKey of 1'-tert-butylspiro[3H-1-benzofuran-2,4'-piperidine]?
The InChIKey is MAOGDAWXYYRKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-15(2,3)17-10-8-16(9-11-17)12-13-6-4-5-7-14(13)18-16/h4-7H,8-12H2,1-3H3.
What are the key properties of 1'-tert-butylspiro[3H-1-benzofuran-2,4'-piperidine]?
1'-tert-butylspiro[3H-1-benzofuran-2,4'-piperidine] has a molecular weight of 245.37 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-tert-butylspiro[3H-1-benzofuran-2,4'-piperidine] is sourced from PubChem (CID 59367726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).