2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine

C15H22N4O — CID 79996226

IUPAC2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine
SMILESCN1CCC(N(C)Cc2nc3c(N)cccc3o2)CC1
InChIInChI=1S/C15H22N4O/c1-18-8-6-11(7-9-18)19(2)10-14-17-15-12(16)4-3-5-13(15)20-14/h3-5,11H,6-10,16H2,1-2H3
InChIKeyVIIJACPJUAAKMF-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.94
Rot. Bonds3

About 2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine

2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine (PubChem CID 79996226) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine
PubChem CID79996226
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine
SMILESCN1CCC(N(C)Cc2nc3c(N)cccc3o2)CC1
InChIInChI=1S/C15H22N4O/c1-18-8-6-11(7-9-18)19(2)10-14-17-15-12(16)4-3-5-13(15)20-14/h3-5,11H,6-10,16H2,1-2H3
InChIKeyVIIJACPJUAAKMF-UHFFFAOYSA-N
XLogP1.94
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine
CID 79999662
2-[[ethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79994766
2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]cyclohexan-1-ol
CID 102631592
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79995484
2-[[butyl(cyclopropyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79995382
2-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79996145
2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,3-benzoxazol-4-amine
CID 79999246
2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-2-methylpropan-1-ol
CID 113475509
2-[[methyl(2-methylbutyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79995285
2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine
CID 79890107
2-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-benzoxazole-2,4-diamine
CID 79890335
3-[(4-amino-1,3-benzoxazol-2-yl)methyl-cyclopropylamino]propanenitrile
CID 79995197

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine?
The IUPAC name of 2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine (CID 79996226) is 2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine is CN1CCC(N(C)Cc2nc3c(N)cccc3o2)CC1.
What is the InChIKey of 2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine?
The InChIKey is VIIJACPJUAAKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-18-8-6-11(7-9-18)19(2)10-14-17-15-12(16)4-3-5-13(15)20-14/h3-5,11H,6-10,16H2,1-2H3.
What are the key properties of 2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine?
2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine has a molecular weight of 274.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine is sourced from PubChem (CID 79996226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).