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

C13H19N3O2 — CID 46900808

IUPACN-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine
SMILESc1nc(CNC2CCNCC2)cc2c1OCCO2
InChIInChI=1S/C13H19N3O2/c1-3-14-4-2-10(1)15-8-11-7-12-13(9-16-11)18-6-5-17-12/h7,9-10,14-15H,1-6,8H2
InChIKeyUGTBUTXQKHPYHK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.69
Rot. Bonds3

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

N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine (PubChem CID 46900808) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine
PubChem CID46900808
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine
SMILESc1nc(CNC2CCNCC2)cc2c1OCCO2
InChIInChI=1S/C13H19N3O2/c1-3-14-4-2-10(1)15-8-11-7-12-13(9-16-11)18-6-5-17-12/h7,9-10,14-15H,1-6,8H2
InChIKeyUGTBUTXQKHPYHK-UHFFFAOYSA-N
XLogP0.69
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine?
The IUPAC name of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine (CID 46900808) is N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine is c1nc(CNC2CCNCC2)cc2c1OCCO2.
What is the InChIKey of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine?
The InChIKey is UGTBUTXQKHPYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-14-4-2-10(1)15-8-11-7-12-13(9-16-11)18-6-5-17-12/h7,9-10,14-15H,1-6,8H2.
What are the key properties of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine?
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine has a molecular weight of 249.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 46900808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).