2-(4-methylpiperidin-4-yl)-1,3-benzoxazole

C13H16N2O — CID 63124311

IUPAC2-(4-methylpiperidin-4-yl)-1,3-benzoxazole
SMILESCC1(c2nc3ccccc3o2)CCNCC1
InChIInChI=1S/C13H16N2O/c1-13(6-8-14-9-7-13)12-15-10-4-2-3-5-11(10)16-12/h2-5,14H,6-9H2,1H3
InChIKeyVONPCQQZUIUOEJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.47
Rot. Bonds1

About 2-(4-methylpiperidin-4-yl)-1,3-benzoxazole

2-(4-methylpiperidin-4-yl)-1,3-benzoxazole (PubChem CID 63124311) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(4-methylpiperidin-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-methylpiperidin-4-yl)-1,3-benzoxazole
PubChem CID63124311
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(4-methylpiperidin-4-yl)-1,3-benzoxazole
SMILESCC1(c2nc3ccccc3o2)CCNCC1
InChIInChI=1S/C13H16N2O/c1-13(6-8-14-9-7-13)12-15-10-4-2-3-5-11(10)16-12/h2-5,14H,6-9H2,1H3
InChIKeyVONPCQQZUIUOEJ-UHFFFAOYSA-N
XLogP2.47
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-4-yl)-1,3-benzoxazole?
The IUPAC name of 2-(4-methylpiperidin-4-yl)-1,3-benzoxazole (CID 63124311) is 2-(4-methylpiperidin-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-methylpiperidin-4-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-methylpiperidin-4-yl)-1,3-benzoxazole is CC1(c2nc3ccccc3o2)CCNCC1.
What is the InChIKey of 2-(4-methylpiperidin-4-yl)-1,3-benzoxazole?
The InChIKey is VONPCQQZUIUOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(6-8-14-9-7-13)12-15-10-4-2-3-5-11(10)16-12/h2-5,14H,6-9H2,1H3.
What are the key properties of 2-(4-methylpiperidin-4-yl)-1,3-benzoxazole?
2-(4-methylpiperidin-4-yl)-1,3-benzoxazole has a molecular weight of 216.28 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 63124311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).