4-piperidin-4-yloxy-1,2-benzoxazol-3-amine;2,2,2-trifluoroacetic acid

C14H16F3N3O4 — CID 45488659

IUPAC4-piperidin-4-yloxy-1,2-benzoxazol-3-amine;2,2,2-trifluoroacetic acid
SMILESNc1noc2cccc(OC3CCNCC3)c12.O=C(O)C(F)(F)F
InChIInChI=1S/C12H15N3O2.C2HF3O2/c13-12-11-9(2-1-3-10(11)17-15-12)16-8-4-6-14-7-5-8;3-2(4,5)1(6)7/h1-3,8,14H,4-7H2,(H2,13,15);(H,6,7)
InChIKeyBBENXGVLPBYVTF-UHFFFAOYSA-N
MW347.29 g/mol
LogP2.17
Rot. Bonds2

About 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine;2,2,2-trifluoroacetic acid

4-piperidin-4-yloxy-1,2-benzoxazol-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 45488659) has the molecular formula C14H16F3N3O4 and a molecular weight of 347.29 g/mol. Its IUPAC name is 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-piperidin-4-yloxy-1,2-benzoxazol-3-amine;2,2,2-trifluoroacetic acid
PubChem CID45488659
Molecular FormulaC14H16F3N3O4
Molecular Weight347.29 g/mol
Exact Mass347.11
IUPAC Name4-piperidin-4-yloxy-1,2-benzoxazol-3-amine;2,2,2-trifluoroacetic acid
SMILESNc1noc2cccc(OC3CCNCC3)c12.O=C(O)C(F)(F)F
InChIInChI=1S/C12H15N3O2.C2HF3O2/c13-12-11-9(2-1-3-10(11)17-15-12)16-8-4-6-14-7-5-8;3-2(4,5)1(6)7/h1-3,8,14H,4-7H2,(H2,13,15);(H,6,7)
InChIKeyBBENXGVLPBYVTF-UHFFFAOYSA-N
XLogP2.17
TPSA110.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine;2,2,2-trifluoroacetic acid (CID 45488659) is 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine;2,2,2-trifluoroacetic acid is Nc1noc2cccc(OC3CCNCC3)c12.O=C(O)C(F)(F)F.
What is the InChIKey of 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is BBENXGVLPBYVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2.C2HF3O2/c13-12-11-9(2-1-3-10(11)17-15-12)16-8-4-6-14-7-5-8;3-2(4,5)1(6)7/h1-3,8,14H,4-7H2,(H2,13,15);(H,6,7).
What are the key properties of 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine;2,2,2-trifluoroacetic acid?
4-piperidin-4-yloxy-1,2-benzoxazol-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 347.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yloxy-1,2-benzoxazol-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 45488659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).