1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-amine

C13H18N2O — CID 10727556

IUPAC1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-amine
SMILESCN1CCC2(CC1)COc1ccc(N)cc12
InChIInChI=1S/C13H18N2O/c1-15-6-4-13(5-7-15)9-16-12-3-2-10(14)8-11(12)13/h2-3,8H,4-7,9,14H2,1H3
InChIKeyCGZCWUBFZRIUAS-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.62
Rot. Bonds

About 1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-amine

1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-amine (PubChem CID 10727556) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-amine.

Molecular Properties

Compound Name1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-amine
PubChem CID10727556
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-amine
SMILESCN1CCC2(CC1)COc1ccc(N)cc12
InChIInChI=1S/C13H18N2O/c1-15-6-4-13(5-7-15)9-16-12-3-2-10(14)8-11(12)13/h2-3,8H,4-7,9,14H2,1H3
InChIKeyCGZCWUBFZRIUAS-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-amine?
The IUPAC name of 1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-amine (CID 10727556) is 1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-amine.
What is the SMILES notation for 1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-amine?
The canonical SMILES for 1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-amine is CN1CCC2(CC1)COc1ccc(N)cc12.
What is the InChIKey of 1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-amine?
The InChIKey is CGZCWUBFZRIUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-6-4-13(5-7-15)9-16-12-3-2-10(14)8-11(12)13/h2-3,8H,4-7,9,14H2,1H3.
What are the key properties of 1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-amine?
1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-amine has a molecular weight of 218.30 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-amine is sourced from PubChem (CID 10727556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).