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

C15H19FN2O2 — CID 15384966

IUPAC3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-ol
SMILESOCCCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C15H19FN2O2/c16-12-2-3-13-14(10-12)20-17-15(13)11-4-7-18(8-5-11)6-1-9-19/h2-3,10-11,19H,1,4-9H2
InChIKeyUMNKDRAGADXPKA-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.53
Rot. Bonds4

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

3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-ol (PubChem CID 15384966) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-ol
PubChem CID15384966
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-ol
SMILESOCCCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C15H19FN2O2/c16-12-2-3-13-14(10-12)20-17-15(13)11-4-7-18(8-5-11)6-1-9-19/h2-3,10-11,19H,1,4-9H2
InChIKeyUMNKDRAGADXPKA-UHFFFAOYSA-N
XLogP2.53
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.53
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-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-ol (CID 15384966) is 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-ol is OCCCN1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-ol?
The InChIKey is UMNKDRAGADXPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-12-2-3-13-14(10-12)20-17-15(13)11-4-7-18(8-5-11)6-1-9-19/h2-3,10-11,19H,1,4-9H2.
What are the key properties of 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-ol?
3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-ol has a molecular weight of 278.33 g/mol, XLogP of 2.53, 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-1,2-benzoxazol-3-yl)piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 15384966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).