2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole

C12H18N2O — CID 83859417

IUPAC2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESC1CCC(c2nc3c(o2)CCCC3)NC1
InChIInChI=1S/C12H18N2O/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h10,13H,1-8H2
InChIKeyRZUUKJBGCYNTGI-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.37
Rot. Bonds1

About 2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole

2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole (PubChem CID 83859417) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole.

Molecular Properties

Compound Name2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
PubChem CID83859417
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
SMILESC1CCC(c2nc3c(o2)CCCC3)NC1
InChIInChI=1S/C12H18N2O/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h10,13H,1-8H2
InChIKeyRZUUKJBGCYNTGI-UHFFFAOYSA-N
XLogP2.37
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The IUPAC name of 2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole (CID 83859417) is 2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole.
What is the SMILES notation for 2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The canonical SMILES for 2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole is C1CCC(c2nc3c(o2)CCCC3)NC1.
What is the InChIKey of 2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
The InChIKey is RZUUKJBGCYNTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-7-11-9(5-1)14-12(15-11)10-6-3-4-8-13-10/h10,13H,1-8H2.
What are the key properties of 2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole?
2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole has a molecular weight of 206.29 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole is sourced from PubChem (CID 83859417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).