2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine

C16H24N4O — CID 79999662

IUPAC2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine
SMILESCCN1CCC(N(C)Cc2nc3c(N)cccc3o2)CC1
InChIInChI=1S/C16H24N4O/c1-3-20-9-7-12(8-10-20)19(2)11-15-18-16-13(17)5-4-6-14(16)21-15/h4-6,12H,3,7-11,17H2,1-2H3
InChIKeyCYBZJCVCEAJKKP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.33
Rot. Bonds4

About 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine

2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine (PubChem CID 79999662) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine
PubChem CID79999662
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine
SMILESCCN1CCC(N(C)Cc2nc3c(N)cccc3o2)CC1
InChIInChI=1S/C16H24N4O/c1-3-20-9-7-12(8-10-20)19(2)11-15-18-16-13(17)5-4-6-14(16)21-15/h4-6,12H,3,7-11,17H2,1-2H3
InChIKeyCYBZJCVCEAJKKP-UHFFFAOYSA-N
XLogP2.33
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.33
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-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79996226
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-[[butyl(cyclopropyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79995382
2-[(3-methoxypyrrolidin-1-yl)methyl]-1,3-benzoxazol-4-amine
CID 103530943
2-[(4-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-2-methylpropan-1-ol
CID 113475509
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79995484
2-[[ethyl(propan-2-yl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79995073
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-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79996145
3-[(4-amino-1,3-benzoxazol-2-yl)methyl-cyclopropylamino]propanenitrile
CID 79995197

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine?
The IUPAC name of 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine (CID 79999662) is 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine is CCN1CCC(N(C)Cc2nc3c(N)cccc3o2)CC1.
What is the InChIKey of 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine?
The InChIKey is CYBZJCVCEAJKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-20-9-7-12(8-10-20)19(2)11-15-18-16-13(17)5-4-6-14(16)21-15/h4-6,12H,3,7-11,17H2,1-2H3.
What are the key properties of 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine?
2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine has a molecular weight of 288.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine is sourced from PubChem (CID 79999662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).