2-[4-(6-fluoro-3a,7a-dihydro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanol

C14H19FN2O2 — CID 10539686

IUPAC2-[4-(6-fluoro-3a,7a-dihydro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanol
SMILESOCCN1CCC(C2=NOC3C=C(F)C=CC23)CC1
InChIInChI=1S/C14H19FN2O2/c15-11-1-2-12-13(9-11)19-16-14(12)10-3-5-17(6-4-10)7-8-18/h1-2,9-10,12-13,18H,3-8H2
InChIKeyPFBUSLBSFZUIFH-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.48
Rot. Bonds3

About 2-[4-(6-fluoro-3a,7a-dihydro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanol

2-[4-(6-fluoro-3a,7a-dihydro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanol (PubChem CID 10539686) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[4-(6-fluoro-3a,7a-dihydro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(6-fluoro-3a,7a-dihydro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanol
PubChem CID10539686
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-[4-(6-fluoro-3a,7a-dihydro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanol
SMILESOCCN1CCC(C2=NOC3C=C(F)C=CC23)CC1
InChIInChI=1S/C14H19FN2O2/c15-11-1-2-12-13(9-11)19-16-14(12)10-3-5-17(6-4-10)7-8-18/h1-2,9-10,12-13,18H,3-8H2
InChIKeyPFBUSLBSFZUIFH-UHFFFAOYSA-N
XLogP1.48
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-3a,7a-dihydro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-(6-fluoro-3a,7a-dihydro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanol (CID 10539686) is 2-[4-(6-fluoro-3a,7a-dihydro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(6-fluoro-3a,7a-dihydro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-(6-fluoro-3a,7a-dihydro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanol is OCCN1CCC(C2=NOC3C=C(F)C=CC23)CC1.
What is the InChIKey of 2-[4-(6-fluoro-3a,7a-dihydro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanol?
The InChIKey is PFBUSLBSFZUIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-11-1-2-12-13(9-11)19-16-14(12)10-3-5-17(6-4-10)7-8-18/h1-2,9-10,12-13,18H,3-8H2.
What are the key properties of 2-[4-(6-fluoro-3a,7a-dihydro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanol?
2-[4-(6-fluoro-3a,7a-dihydro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanol has a molecular weight of 266.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-fluoro-3a,7a-dihydro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 10539686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).