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

C12H14N2O — CID 770461

IUPAC2-piperidin-4-yl-1,3-benzoxazole
SMILESc1ccc2oc(C3CCNCC3)nc2c1
InChIInChI=1S/C12H14N2O/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChIKeyYHVZEPIEDXIJJT-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.29
Rot. Bonds1

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

2-piperidin-4-yl-1,3-benzoxazole (PubChem CID 770461) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-piperidin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-piperidin-4-yl-1,3-benzoxazole
PubChem CID770461
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-piperidin-4-yl-1,3-benzoxazole
SMILESc1ccc2oc(C3CCNCC3)nc2c1
InChIInChI=1S/C12H14N2O/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChIKeyYHVZEPIEDXIJJT-UHFFFAOYSA-N
XLogP2.29
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1,3-benzoxazole?
The IUPAC name of 2-piperidin-4-yl-1,3-benzoxazole (CID 770461) is 2-piperidin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 2-piperidin-4-yl-1,3-benzoxazole?
The canonical SMILES for 2-piperidin-4-yl-1,3-benzoxazole is c1ccc2oc(C3CCNCC3)nc2c1.
What is the InChIKey of 2-piperidin-4-yl-1,3-benzoxazole?
The InChIKey is YHVZEPIEDXIJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2.
What are the key properties of 2-piperidin-4-yl-1,3-benzoxazole?
2-piperidin-4-yl-1,3-benzoxazole has a molecular weight of 202.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1,3-benzoxazole is sourced from PubChem (CID 770461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).