2-piperidin-2-yl-1,3-benzoxazol-7-amine

C12H15N3O — CID 83859189

IUPAC2-piperidin-2-yl-1,3-benzoxazol-7-amine
SMILESNc1cccc2nc(C3CCCCN3)oc12
InChIInChI=1S/C12H15N3O/c13-8-4-3-6-9-11(8)16-12(15-9)10-5-1-2-7-14-10/h3-4,6,10,14H,1-2,5,7,13H2
InChIKeyGDVFBTUDEMTLTB-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.22
Rot. Bonds1

About 2-piperidin-2-yl-1,3-benzoxazol-7-amine

2-piperidin-2-yl-1,3-benzoxazol-7-amine (PubChem CID 83859189) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-piperidin-2-yl-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name2-piperidin-2-yl-1,3-benzoxazol-7-amine
PubChem CID83859189
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-piperidin-2-yl-1,3-benzoxazol-7-amine
SMILESNc1cccc2nc(C3CCCCN3)oc12
InChIInChI=1S/C12H15N3O/c13-8-4-3-6-9-11(8)16-12(15-9)10-5-1-2-7-14-10/h3-4,6,10,14H,1-2,5,7,13H2
InChIKeyGDVFBTUDEMTLTB-UHFFFAOYSA-N
XLogP2.22
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazole
CID 83868118
7-methyl-2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazole
CID 83859173
7-bromo-2-[(2S)-pyrrolidin-2-yl]-1,3-benzoxazole
CID 83866956
2-piperidin-2-yl-1,3-benzoxazol-4-amine
CID 83949115
3-[(2S)-piperidin-2-yl]benzene-1,2-diamine
CID 55296112
4,7-dichloro-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 82232781
5-methyl-2-piperidin-2-yl-1,3-benzoxazole
CID 60918725
6-methoxy-2-piperidin-2-yl-1,3-benzoxazole
CID 102696403
2-piperidin-2-yl-1,3-benzoxazole-5-carboxylic acid
CID 82384588
2-naphthalen-1-ylpiperidine
CID 4209523
2-pyrrolidin-2-ylaniline;dihydrochloride
CID 66519278
(2S)-2-naphthalen-1-ylazepane
CID 7048283

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-1,3-benzoxazol-7-amine?
The IUPAC name of 2-piperidin-2-yl-1,3-benzoxazol-7-amine (CID 83859189) is 2-piperidin-2-yl-1,3-benzoxazol-7-amine.
What is the SMILES notation for 2-piperidin-2-yl-1,3-benzoxazol-7-amine?
The canonical SMILES for 2-piperidin-2-yl-1,3-benzoxazol-7-amine is Nc1cccc2nc(C3CCCCN3)oc12.
What is the InChIKey of 2-piperidin-2-yl-1,3-benzoxazol-7-amine?
The InChIKey is GDVFBTUDEMTLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-8-4-3-6-9-11(8)16-12(15-9)10-5-1-2-7-14-10/h3-4,6,10,14H,1-2,5,7,13H2.
What are the key properties of 2-piperidin-2-yl-1,3-benzoxazol-7-amine?
2-piperidin-2-yl-1,3-benzoxazol-7-amine has a molecular weight of 217.27 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-1,3-benzoxazol-7-amine is sourced from PubChem (CID 83859189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).