3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine

C15H20FN3O — CID 67691459

IUPAC3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine
SMILESNCCCN1CCC(c2onc3cc(F)ccc23)CC1
InChIInChI=1S/C15H20FN3O/c16-12-2-3-13-14(10-12)18-20-15(13)11-4-8-19(9-5-11)7-1-6-17/h2-3,10-11H,1,4-9,17H2
InChIKeyZQMBXFLHGHBHHF-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.50
Rot. Bonds4

About 3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine

3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine (PubChem CID 67691459) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine
PubChem CID67691459
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine
SMILESNCCCN1CCC(c2onc3cc(F)ccc23)CC1
InChIInChI=1S/C15H20FN3O/c16-12-2-3-13-14(10-12)18-20-15(13)11-4-8-19(9-5-11)7-1-6-17/h2-3,10-11H,1,4-9,17H2
InChIKeyZQMBXFLHGHBHHF-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine (CID 67691459) is 3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine is NCCCN1CCC(c2onc3cc(F)ccc23)CC1.
What is the InChIKey of 3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine?
The InChIKey is ZQMBXFLHGHBHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-12-2-3-13-14(10-12)18-20-15(13)11-4-8-19(9-5-11)7-1-6-17/h2-3,10-11H,1,4-9,17H2.
What are the key properties of 3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine?
3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine has a molecular weight of 277.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-fluoro-2,1-benzoxazol-3-yl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 67691459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).