2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole

C20H22N2O2 — CID 11393104

IUPAC2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole
SMILESc1ccc2oc(Oc3ccc(CCN4CCCCC4)cc3)nc2c1
InChIInChI=1S/C20H22N2O2/c1-4-13-22(14-5-1)15-12-16-8-10-17(11-9-16)23-20-21-18-6-2-3-7-19(18)24-20/h2-3,6-11H,1,4-5,12-15H2
InChIKeyDDPDHHQNYWOFTO-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.65
Rot. Bonds5

About 2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole

2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole (PubChem CID 11393104) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole
PubChem CID11393104
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole
SMILESc1ccc2oc(Oc3ccc(CCN4CCCCC4)cc3)nc2c1
InChIInChI=1S/C20H22N2O2/c1-4-13-22(14-5-1)15-12-16-8-10-17(11-9-16)23-20-21-18-6-2-3-7-19(18)24-20/h2-3,6-11H,1,4-5,12-15H2
InChIKeyDDPDHHQNYWOFTO-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole?
The IUPAC name of 2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole (CID 11393104) is 2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole is c1ccc2oc(Oc3ccc(CCN4CCCCC4)cc3)nc2c1.
What is the InChIKey of 2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole?
The InChIKey is DDPDHHQNYWOFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-4-13-22(14-5-1)15-12-16-8-10-17(11-9-16)23-20-21-18-6-2-3-7-19(18)24-20/h2-3,6-11H,1,4-5,12-15H2.
What are the key properties of 2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole?
2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole has a molecular weight of 322.41 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-piperidin-1-ylethyl)phenoxy]-1,3-benzoxazole is sourced from PubChem (CID 11393104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).