2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine

C14H20N4O — CID 79890107

IUPAC2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine
SMILESCN(C)C1CCN(c2nc3c(N)cccc3o2)CC1
InChIInChI=1S/C14H20N4O/c1-17(2)10-6-8-18(9-7-10)14-16-13-11(15)4-3-5-12(13)19-14/h3-5,10H,6-9,15H2,1-2H3
InChIKeyJGDMMNJGYFBQDS-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.94
Rot. Bonds2

About 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine

2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine (PubChem CID 79890107) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine
PubChem CID79890107
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine
SMILESCN(C)C1CCN(c2nc3c(N)cccc3o2)CC1
InChIInChI=1S/C14H20N4O/c1-17(2)10-6-8-18(9-7-10)14-16-13-11(15)4-3-5-12(13)19-14/h3-5,10H,6-9,15H2,1-2H3
InChIKeyJGDMMNJGYFBQDS-UHFFFAOYSA-N
XLogP1.94
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
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-piperidin-1-yl-1,3-benzoxazol-4-amine
CID 79890379
2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazol-4-amine
CID 79893538
2-(4-cyclopentylpiperazin-1-yl)-1,3-benzoxazol-4-amine
CID 79882571
2-(4-tert-butylpiperazin-1-yl)-1,3-benzoxazol-4-amine
CID 79893265
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine
CID 79882327
2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine
CID 79893453
2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1,3-benzoxazol-4-amine
CID 79996226
2-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-1,3-benzoxazol-4-amine
CID 79999662
4-(4-amino-1,3-benzoxazol-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102888293
4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one
CID 79890454
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-benzoxazol-4-amine
CID 79892960
2-N-methyl-2-N-(thiolan-3-yl)-1,3-benzoxazole-2,4-diamine
CID 79890707

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine?
The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine (CID 79890107) is 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine is CN(C)C1CCN(c2nc3c(N)cccc3o2)CC1.
What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine?
The InChIKey is JGDMMNJGYFBQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17(2)10-6-8-18(9-7-10)14-16-13-11(15)4-3-5-12(13)19-14/h3-5,10H,6-9,15H2,1-2H3.
What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine?
2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine has a molecular weight of 260.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine is sourced from PubChem (CID 79890107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).