1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine

C20H25N3O2 — CID 68673729

About 1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine

1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine (PubChem CID 68673729) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine.

Molecular Properties

• Compound Name: 1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine
• PubChem CID: 68673729
• Molecular Formula: C20H25N3O2
• Molecular Weight: 339.44 g/mol
• Exact Mass: 339.19
• IUPAC Name: 1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine
• SMILES: c1ccc(CN2CCC(NCc3cc4c(cn3)OCCO4)CC2)cc1
• InChI: InChI=1S/C20H25N3O2/c1-2-4-16(5-3-1)15-23-8-6-17(7-9-23)21-13-18-12-19-20(14-22-18)25-11-10-24-19/h1-5,12,14,17,21H,6-11,13,15H2
• InChIKey: XJEOQAIEEZQRRC-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 46.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.44
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine?

The IUPAC name of 1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine (CID 68673729) is 1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine.

What is the SMILES notation for 1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine?

The canonical SMILES for 1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine is c1ccc(CN2CCC(NCc3cc4c(cn3)OCCO4)CC2)cc1.

What is the InChIKey of 1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine?

The InChIKey is XJEOQAIEEZQRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-4-16(5-3-1)15-23-8-6-17(7-9-23)21-13-18-12-19-20(14-22-18)25-11-10-24-19/h1-5,12,14,17,21H,6-11,13,15H2.

What are the key properties of 1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine?

1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine has a molecular weight of 339.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 68673729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).