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

C12H15ClN2O — CID 13076437

IUPAC3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
SMILESCl.c1ccc2c(C3CCNCC3)noc2c1
InChIInChI=1S/C12H14N2O.ClH/c1-2-4-11-10(3-1)12(14-15-11)9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
InChIKeyJVRIOVDBNNWSHA-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.72
Rot. Bonds1

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

3-piperidin-4-yl-1,2-benzoxazole;hydrochloride (PubChem CID 13076437) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-piperidin-4-yl-1,2-benzoxazole;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
PubChem CID13076437
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
SMILESCl.c1ccc2c(C3CCNCC3)noc2c1
InChIInChI=1S/C12H14N2O.ClH/c1-2-4-11-10(3-1)12(14-15-11)9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
InChIKeyJVRIOVDBNNWSHA-UHFFFAOYSA-N
XLogP2.72
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.72
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-1,2-benzoxazole;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-1,2-benzoxazole;hydrochloride (CID 13076437) is 3-piperidin-4-yl-1,2-benzoxazole;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-1,2-benzoxazole;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-1,2-benzoxazole;hydrochloride is Cl.c1ccc2c(C3CCNCC3)noc2c1.
What is the InChIKey of 3-piperidin-4-yl-1,2-benzoxazole;hydrochloride?
The InChIKey is JVRIOVDBNNWSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.ClH/c1-2-4-11-10(3-1)12(14-15-11)9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H.
What are the key properties of 3-piperidin-4-yl-1,2-benzoxazole;hydrochloride?
3-piperidin-4-yl-1,2-benzoxazole;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 2.72, 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-1,2-benzoxazole;hydrochloride is sourced from PubChem (CID 13076437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).