4-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazin-6-amine

C14H21N3O — CID 71419481

IUPAC4-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazin-6-amine
SMILESCN1CCC(N2CCOc3ccc(N)cc32)CC1
InChIInChI=1S/C14H21N3O/c1-16-6-4-12(5-7-16)17-8-9-18-14-3-2-11(15)10-13(14)17/h2-3,10,12H,4-9,15H2,1H3
InChIKeyUMTIFVVEOWDQRU-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.56
Rot. Bonds1

About 4-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazin-6-amine

4-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazin-6-amine (PubChem CID 71419481) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazin-6-amine.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazin-6-amine
PubChem CID71419481
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazin-6-amine
SMILESCN1CCC(N2CCOc3ccc(N)cc32)CC1
InChIInChI=1S/C14H21N3O/c1-16-6-4-12(5-7-16)17-8-9-18-14-3-2-11(15)10-13(14)17/h2-3,10,12H,4-9,15H2,1H3
InChIKeyUMTIFVVEOWDQRU-UHFFFAOYSA-N
XLogP1.56
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-one
CID 170046281
9-amino-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one;1,3-dimethylpyrrolidine
CID 144642540
3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-methylaniline
CID 63189674
4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol
CID 71231657
3-methyl-4-[5-(1-methylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]aniline
CID 170046178
4-(1-methylpiperidin-4-yl)benzene-1,3-diamine
CID 142507693
9H-fluoren-9-ylmethyl 6-amino-2,3-dihydro-1,4-benzoxazine-4-carboxylate
CID 177172610
(3S)-3,7-diamino-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;hydrochloride
CID 154698028
2-(1-methylpiperidin-4-yl)quinazoline-4,7-diamine
CID 175549306
6-amino-4-[2-(1-methylpiperidin-2-yl)ethyl]-1,4-benzoxazin-3-one
CID 107912116
7-methyl-3,4,5,6-tetrahydro-2H-1,7-benzoxazonin-10-amine
CID 142949804
1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(1-methylpiperidin-4-yl)ethanone
CID 118225622

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazin-6-amine?
The IUPAC name of 4-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazin-6-amine (CID 71419481) is 4-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazin-6-amine.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazin-6-amine?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazin-6-amine is CN1CCC(N2CCOc3ccc(N)cc32)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazin-6-amine?
The InChIKey is UMTIFVVEOWDQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16-6-4-12(5-7-16)17-8-9-18-14-3-2-11(15)10-13(14)17/h2-3,10,12H,4-9,15H2,1H3.
What are the key properties of 4-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazin-6-amine?
4-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazin-6-amine has a molecular weight of 247.34 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazin-6-amine is sourced from PubChem (CID 71419481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).