2-methyl-3-(3-methylpiperidin-1-yl)-2H-1,4-benzoxazin-7-amine

C15H21N3O — CID 82368176

IUPAC2-methyl-3-(3-methylpiperidin-1-yl)-2H-1,4-benzoxazin-7-amine
SMILESCC1CCCN(C2=Nc3ccc(N)cc3OC2C)C1
InChIInChI=1S/C15H21N3O/c1-10-4-3-7-18(9-10)15-11(2)19-14-8-12(16)5-6-13(14)17-15/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3
InChIKeyJRKXGOYQXGACKQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.81
Rot. Bonds

About 2-methyl-3-(3-methylpiperidin-1-yl)-2H-1,4-benzoxazin-7-amine

2-methyl-3-(3-methylpiperidin-1-yl)-2H-1,4-benzoxazin-7-amine (PubChem CID 82368176) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-3-(3-methylpiperidin-1-yl)-2H-1,4-benzoxazin-7-amine.

Molecular Properties

Compound Name2-methyl-3-(3-methylpiperidin-1-yl)-2H-1,4-benzoxazin-7-amine
PubChem CID82368176
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methyl-3-(3-methylpiperidin-1-yl)-2H-1,4-benzoxazin-7-amine
SMILESCC1CCCN(C2=Nc3ccc(N)cc3OC2C)C1
InChIInChI=1S/C15H21N3O/c1-10-4-3-7-18(9-10)15-11(2)19-14-8-12(16)5-6-13(14)17-15/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3
InChIKeyJRKXGOYQXGACKQ-UHFFFAOYSA-N
XLogP2.81
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylpiperidin-1-yl)-2H-1,4-benzoxazin-7-amine?
The IUPAC name of 2-methyl-3-(3-methylpiperidin-1-yl)-2H-1,4-benzoxazin-7-amine (CID 82368176) is 2-methyl-3-(3-methylpiperidin-1-yl)-2H-1,4-benzoxazin-7-amine.
What is the SMILES notation for 2-methyl-3-(3-methylpiperidin-1-yl)-2H-1,4-benzoxazin-7-amine?
The canonical SMILES for 2-methyl-3-(3-methylpiperidin-1-yl)-2H-1,4-benzoxazin-7-amine is CC1CCCN(C2=Nc3ccc(N)cc3OC2C)C1.
What is the InChIKey of 2-methyl-3-(3-methylpiperidin-1-yl)-2H-1,4-benzoxazin-7-amine?
The InChIKey is JRKXGOYQXGACKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-4-3-7-18(9-10)15-11(2)19-14-8-12(16)5-6-13(14)17-15/h5-6,8,10-11H,3-4,7,9,16H2,1-2H3.
What are the key properties of 2-methyl-3-(3-methylpiperidin-1-yl)-2H-1,4-benzoxazin-7-amine?
2-methyl-3-(3-methylpiperidin-1-yl)-2H-1,4-benzoxazin-7-amine has a molecular weight of 259.35 g/mol, XLogP of 2.81, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylpiperidin-1-yl)-2H-1,4-benzoxazin-7-amine is sourced from PubChem (CID 82368176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).