3-[(1-benzylpiperidin-4-yl)methoxy]-1,2-benzoxazole

C20H22N2O2 — CID 10426283

IUPAC3-[(1-benzylpiperidin-4-yl)methoxy]-1,2-benzoxazole
SMILESc1ccc(CN2CCC(COc3noc4ccccc34)CC2)cc1
InChIInChI=1S/C20H22N2O2/c1-2-6-16(7-3-1)14-22-12-10-17(11-13-22)15-23-20-18-8-4-5-9-19(18)24-21-20/h1-9,17H,10-15H2
InChIKeyOXCFQBATIXKIPU-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.12
Rot. Bonds5

About 3-[(1-benzylpiperidin-4-yl)methoxy]-1,2-benzoxazole

3-[(1-benzylpiperidin-4-yl)methoxy]-1,2-benzoxazole (PubChem CID 10426283) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[(1-benzylpiperidin-4-yl)methoxy]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[(1-benzylpiperidin-4-yl)methoxy]-1,2-benzoxazole
PubChem CID10426283
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-[(1-benzylpiperidin-4-yl)methoxy]-1,2-benzoxazole
SMILESc1ccc(CN2CCC(COc3noc4ccccc34)CC2)cc1
InChIInChI=1S/C20H22N2O2/c1-2-6-16(7-3-1)14-22-12-10-17(11-13-22)15-23-20-18-8-4-5-9-19(18)24-21-20/h1-9,17H,10-15H2
InChIKeyOXCFQBATIXKIPU-UHFFFAOYSA-N
XLogP4.12
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzylpiperidin-4-yl)methoxy]-1,2-benzoxazole?
The IUPAC name of 3-[(1-benzylpiperidin-4-yl)methoxy]-1,2-benzoxazole (CID 10426283) is 3-[(1-benzylpiperidin-4-yl)methoxy]-1,2-benzoxazole.
What is the SMILES notation for 3-[(1-benzylpiperidin-4-yl)methoxy]-1,2-benzoxazole?
The canonical SMILES for 3-[(1-benzylpiperidin-4-yl)methoxy]-1,2-benzoxazole is c1ccc(CN2CCC(COc3noc4ccccc34)CC2)cc1.
What is the InChIKey of 3-[(1-benzylpiperidin-4-yl)methoxy]-1,2-benzoxazole?
The InChIKey is OXCFQBATIXKIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-6-16(7-3-1)14-22-12-10-17(11-13-22)15-23-20-18-8-4-5-9-19(18)24-21-20/h1-9,17H,10-15H2.
What are the key properties of 3-[(1-benzylpiperidin-4-yl)methoxy]-1,2-benzoxazole?
3-[(1-benzylpiperidin-4-yl)methoxy]-1,2-benzoxazole has a molecular weight of 322.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzylpiperidin-4-yl)methoxy]-1,2-benzoxazole is sourced from PubChem (CID 10426283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).