5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine

C14H20N2O — CID 86718004

IUPAC5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine
SMILESCc1cc(N)c2c(c1C1CCNCC1)CCO2
InChIInChI=1S/C14H20N2O/c1-9-8-12(15)14-11(4-7-17-14)13(9)10-2-5-16-6-3-10/h8,10,16H,2-7,15H2,1H3
InChIKeyXNYNRSYXRGNBAV-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.98
Rot. Bonds1

About 5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine

5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine (PubChem CID 86718004) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine.

Molecular Properties

Compound Name5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine
PubChem CID86718004
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine
SMILESCc1cc(N)c2c(c1C1CCNCC1)CCO2
InChIInChI=1S/C14H20N2O/c1-9-8-12(15)14-11(4-7-17-14)13(9)10-2-5-16-6-3-10/h8,10,16H,2-7,15H2,1H3
InChIKeyXNYNRSYXRGNBAV-UHFFFAOYSA-N
XLogP1.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
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 5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine?
The IUPAC name of 5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine (CID 86718004) is 5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine.
What is the SMILES notation for 5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine?
The canonical SMILES for 5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine is Cc1cc(N)c2c(c1C1CCNCC1)CCO2.
What is the InChIKey of 5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine?
The InChIKey is XNYNRSYXRGNBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-8-12(15)14-11(4-7-17-14)13(9)10-2-5-16-6-3-10/h8,10,16H,2-7,15H2,1H3.
What are the key properties of 5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine?
5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine has a molecular weight of 232.33 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine is sourced from PubChem (CID 86718004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).