2-piperidin-1-yl-1,3-benzoxazol-4-amine

C12H15N3O — CID 79890379

IUPAC2-piperidin-1-yl-1,3-benzoxazol-4-amine
SMILESNc1cccc2oc(N3CCCCC3)nc12
InChIInChI=1S/C12H15N3O/c13-9-5-4-6-10-11(9)14-12(16-10)15-7-2-1-3-8-15/h4-6H,1-3,7-8,13H2
InChIKeyNIEOPXKKHWLTDJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.40
Rot. Bonds1

About 2-piperidin-1-yl-1,3-benzoxazol-4-amine

2-piperidin-1-yl-1,3-benzoxazol-4-amine (PubChem CID 79890379) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-piperidin-1-yl-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name2-piperidin-1-yl-1,3-benzoxazol-4-amine
PubChem CID79890379
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-piperidin-1-yl-1,3-benzoxazol-4-amine
SMILESNc1cccc2oc(N3CCCCC3)nc12
InChIInChI=1S/C12H15N3O/c13-9-5-4-6-10-11(9)14-12(16-10)15-7-2-1-3-8-15/h4-6H,1-3,7-8,13H2
InChIKeyNIEOPXKKHWLTDJ-UHFFFAOYSA-N
XLogP2.40
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.40
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

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-(dimethylamino)piperidin-1-yl]-1,3-benzoxazol-4-amine
CID 79890107
2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazol-4-amine
CID 79893538
4-(4-amino-1,3-benzoxazol-2-yl)-1-methyl-1,4-diazepan-2-one
CID 102888293
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1,3-benzoxazol-4-amine
CID 79882327
4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one
CID 79890454
2-(3-ethyl-4-methylpiperazin-1-yl)-1,3-benzoxazol-4-amine
CID 79893453
2-piperidin-1-ylquinolin-8-amine
CID 105484956
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1,3-benzoxazol-4-amine
CID 79892960
2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzoxazole-2,4-diamine
CID 79892931
2-(2,3,5-trimethylpiperidin-1-yl)-1,3-benzoxazol-4-amine
CID 114592002

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1,3-benzoxazol-4-amine?
The IUPAC name of 2-piperidin-1-yl-1,3-benzoxazol-4-amine (CID 79890379) is 2-piperidin-1-yl-1,3-benzoxazol-4-amine.
What is the SMILES notation for 2-piperidin-1-yl-1,3-benzoxazol-4-amine?
The canonical SMILES for 2-piperidin-1-yl-1,3-benzoxazol-4-amine is Nc1cccc2oc(N3CCCCC3)nc12.
What is the InChIKey of 2-piperidin-1-yl-1,3-benzoxazol-4-amine?
The InChIKey is NIEOPXKKHWLTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-9-5-4-6-10-11(9)14-12(16-10)15-7-2-1-3-8-15/h4-6H,1-3,7-8,13H2.
What are the key properties of 2-piperidin-1-yl-1,3-benzoxazol-4-amine?
2-piperidin-1-yl-1,3-benzoxazol-4-amine has a molecular weight of 217.27 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1,3-benzoxazol-4-amine is sourced from PubChem (CID 79890379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).