2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine

C18H22N4O — CID 71193560

IUPAC2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine
SMILESNCc1cccc2c1OCC21CCN(c2cc(N)ccn2)CC1
InChIInChI=1S/C18H22N4O/c19-11-13-2-1-3-15-17(13)23-12-18(15)5-8-22(9-6-18)16-10-14(20)4-7-21-16/h1-4,7,10H,5-6,8-9,11-12,19H2,(H2,20,21)
InChIKeyMTZFJVXFPQAMLX-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.05
Rot. Bonds2

About 2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine

2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine (PubChem CID 71193560) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine
PubChem CID71193560
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine
SMILESNCc1cccc2c1OCC21CCN(c2cc(N)ccn2)CC1
InChIInChI=1S/C18H22N4O/c19-11-13-2-1-3-15-17(13)23-12-18(15)5-8-22(9-6-18)16-10-14(20)4-7-21-16/h1-4,7,10H,5-6,8-9,11-12,19H2,(H2,20,21)
InChIKeyMTZFJVXFPQAMLX-UHFFFAOYSA-N
XLogP2.05
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine?
The IUPAC name of 2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine (CID 71193560) is 2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine.
What is the SMILES notation for 2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine?
The canonical SMILES for 2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine is NCc1cccc2c1OCC21CCN(c2cc(N)ccn2)CC1.
What is the InChIKey of 2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine?
The InChIKey is MTZFJVXFPQAMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c19-11-13-2-1-3-15-17(13)23-12-18(15)5-8-22(9-6-18)16-10-14(20)4-7-21-16/h1-4,7,10H,5-6,8-9,11-12,19H2,(H2,20,21).
What are the key properties of 2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine?
2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine has a molecular weight of 310.40 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine is sourced from PubChem (CID 71193560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).