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

C12H15N3O2 — CID 45488660

IUPAC4-piperidin-4-yloxy-1,2-benzoxazol-3-amine
SMILESNc1noc2cccc(OC3CCNCC3)c12
InChIInChI=1S/C12H15N3O2/c13-12-11-9(2-1-3-10(11)17-15-12)16-8-4-6-14-7-5-8/h1-3,8,14H,4-7H2,(H2,13,15)
InChIKeyFHUMMAZWRZJFER-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.54
Rot. Bonds2

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

4-piperidin-4-yloxy-1,2-benzoxazol-3-amine (PubChem CID 45488660) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-piperidin-4-yloxy-1,2-benzoxazol-3-amine
PubChem CID45488660
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-piperidin-4-yloxy-1,2-benzoxazol-3-amine
SMILESNc1noc2cccc(OC3CCNCC3)c12
InChIInChI=1S/C12H15N3O2/c13-12-11-9(2-1-3-10(11)17-15-12)16-8-4-6-14-7-5-8/h1-3,8,14H,4-7H2,(H2,13,15)
InChIKeyFHUMMAZWRZJFER-UHFFFAOYSA-N
XLogP1.54
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine?
The IUPAC name of 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine (CID 45488660) is 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine is Nc1noc2cccc(OC3CCNCC3)c12.
What is the InChIKey of 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine?
The InChIKey is FHUMMAZWRZJFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-12-11-9(2-1-3-10(11)17-15-12)16-8-4-6-14-7-5-8/h1-3,8,14H,4-7H2,(H2,13,15).
What are the key properties of 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine?
4-piperidin-4-yloxy-1,2-benzoxazol-3-amine has a molecular weight of 233.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine is sourced from PubChem (CID 45488660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).