6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride

C12H14ClFN2O — CID 11334359

IUPAC6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
SMILESCl.Fc1ccc2c(C3CCNCC3)noc2c1
InChIInChI=1S/C12H13FN2O.ClH/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8;/h1-2,7-8,14H,3-6H2;1H
InChIKeyCWPSRUREOSBKBQ-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.86
Rot. Bonds1

About 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride

6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride (PubChem CID 11334359) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride.

Molecular Properties

Compound Name6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
PubChem CID11334359
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
SMILESCl.Fc1ccc2c(C3CCNCC3)noc2c1
InChIInChI=1S/C12H13FN2O.ClH/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8;/h1-2,7-8,14H,3-6H2;1H
InChIKeyCWPSRUREOSBKBQ-UHFFFAOYSA-N
XLogP2.86
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride?
The IUPAC name of 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride (CID 11334359) is 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride.
What is the SMILES notation for 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride?
The canonical SMILES for 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride is Cl.Fc1ccc2c(C3CCNCC3)noc2c1.
What is the InChIKey of 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride?
The InChIKey is CWPSRUREOSBKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O.ClH/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8;/h1-2,7-8,14H,3-6H2;1H.
What are the key properties of 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride?
6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride has a molecular weight of 256.71 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride is sourced from PubChem (CID 11334359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).