3-piperidin-4-yl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride

C9H12ClF3N2O — CID 154703246

IUPAC3-piperidin-4-yl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride
SMILESCl.FC(F)(F)c1cc(C2CCNCC2)no1
InChIInChI=1S/C9H11F3N2O.ClH/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6;/h5-6,13H,1-4H2;1H
InChIKeyHHVICNFSODEANE-UHFFFAOYSA-N
MW256.65 g/mol
LogP2.58
Rot. Bonds1

About 3-piperidin-4-yl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride

3-piperidin-4-yl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride (PubChem CID 154703246) has the molecular formula C9H12ClF3N2O and a molecular weight of 256.65 g/mol. Its IUPAC name is 3-piperidin-4-yl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride
PubChem CID154703246
Molecular FormulaC9H12ClF3N2O
Molecular Weight256.65 g/mol
Exact Mass256.06
IUPAC Name3-piperidin-4-yl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride
SMILESCl.FC(F)(F)c1cc(C2CCNCC2)no1
InChIInChI=1S/C9H11F3N2O.ClH/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6;/h5-6,13H,1-4H2;1H
InChIKeyHHVICNFSODEANE-UHFFFAOYSA-N
XLogP2.58
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.65
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride (CID 154703246) is 3-piperidin-4-yl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride is Cl.FC(F)(F)c1cc(C2CCNCC2)no1.
What is the InChIKey of 3-piperidin-4-yl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride?
The InChIKey is HHVICNFSODEANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O.ClH/c10-9(11,12)8-5-7(14-15-8)6-1-3-13-4-2-6;/h5-6,13H,1-4H2;1H.
What are the key properties of 3-piperidin-4-yl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride?
3-piperidin-4-yl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride has a molecular weight of 256.65 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-5-(trifluoromethyl)-1,2-oxazole;hydrochloride is sourced from PubChem (CID 154703246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).