3-[2-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine

C15H20FN3O — CID 19072450

IUPAC3-[2-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine
SMILESNCCCN1CCCCC1c1noc2cc(F)ccc12
InChIInChI=1S/C15H20FN3O/c16-11-5-6-12-14(10-11)20-18-15(12)13-4-1-2-8-19(13)9-3-7-17/h5-6,10,13H,1-4,7-9,17H2
InChIKeyIBDVDJBFTGSZOY-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.84
Rot. Bonds4

About 3-[2-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine

3-[2-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine (PubChem CID 19072450) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-[2-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine
PubChem CID19072450
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name3-[2-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine
SMILESNCCCN1CCCCC1c1noc2cc(F)ccc12
InChIInChI=1S/C15H20FN3O/c16-11-5-6-12-14(10-11)20-18-15(12)13-4-1-2-8-19(13)9-3-7-17/h5-6,10,13H,1-4,7-9,17H2
InChIKeyIBDVDJBFTGSZOY-UHFFFAOYSA-N
XLogP2.84
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 3-[2-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine (CID 19072450) is 3-[2-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 3-[2-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine is NCCCN1CCCCC1c1noc2cc(F)ccc12.
What is the InChIKey of 3-[2-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine?
The InChIKey is IBDVDJBFTGSZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-11-5-6-12-14(10-11)20-18-15(12)13-4-1-2-8-19(13)9-3-7-17/h5-6,10,13H,1-4,7-9,17H2.
What are the key properties of 3-[2-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine?
3-[2-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine has a molecular weight of 277.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 19072450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).