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

C12H15N3O — CID 11053104

IUPAC6-piperidin-1-yl-1,3-benzoxazol-2-amine
SMILESNc1nc2ccc(N3CCCCC3)cc2o1
InChIInChI=1S/C12H15N3O/c13-12-14-10-5-4-9(8-11(10)16-12)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H2,13,14)
InChIKeyUNMKMBFGTQNWQO-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.40
Rot. Bonds1

About 6-piperidin-1-yl-1,3-benzoxazol-2-amine

6-piperidin-1-yl-1,3-benzoxazol-2-amine (PubChem CID 11053104) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-piperidin-1-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-piperidin-1-yl-1,3-benzoxazol-2-amine
PubChem CID11053104
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-piperidin-1-yl-1,3-benzoxazol-2-amine
SMILESNc1nc2ccc(N3CCCCC3)cc2o1
InChIInChI=1S/C12H15N3O/c13-12-14-10-5-4-9(8-11(10)16-12)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H2,13,14)
InChIKeyUNMKMBFGTQNWQO-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

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Related Compounds

2-(azepan-1-yl)-1,3-benzoxazol-6-amine
CID 79891137
3-pyrrolidin-1-ium-1-ylidene-7-pyrrolidin-1-ylphenoxazine chloride
CID 24882199
6-methyl-1,3-benzoxazol-2-amine
CID 45079000
2-amino-1,3-benzoxazole-6-thiol
CID 130877164
6-piperidin-1-ylacridin-3-amine
CID 164529355
4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210
2-cyclopentyl-6-piperazin-1-yl-1,3-benzoxazole
CID 94979311
2-methyl-6-piperidin-1-ylquinoline
CID 82242491
2-(4-pyrrolidin-1-ylphenyl)-1,3-benzoxazol-5-amine
CID 25188057
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole
CID 163357218
2-(azocan-1-yl)-1,3-benzoxazol-5-amine
CID 79884635

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-1,3-benzoxazol-2-amine?
The IUPAC name of 6-piperidin-1-yl-1,3-benzoxazol-2-amine (CID 11053104) is 6-piperidin-1-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-piperidin-1-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-piperidin-1-yl-1,3-benzoxazol-2-amine is Nc1nc2ccc(N3CCCCC3)cc2o1.
What is the InChIKey of 6-piperidin-1-yl-1,3-benzoxazol-2-amine?
The InChIKey is UNMKMBFGTQNWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-12-14-10-5-4-9(8-11(10)16-12)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2,(H2,13,14).
What are the key properties of 6-piperidin-1-yl-1,3-benzoxazol-2-amine?
6-piperidin-1-yl-1,3-benzoxazol-2-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 6-piperidin-1-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 11053104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).