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

C18H22N2O — CID 139771111

IUPAC6-phenyl-3-piperidin-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole
SMILESc1ccc(C2CCc3c(noc3N3CCCCC3)C2)cc1
InChIInChI=1S/C18H22N2O/c1-3-7-14(8-4-1)15-9-10-16-17(13-15)19-21-18(16)20-11-5-2-6-12-20/h1,3-4,7-8,15H,2,5-6,9-13H2
InChIKeyNKEXBBDGTSFITL-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.94
Rot. Bonds2

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

6-phenyl-3-piperidin-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole (PubChem CID 139771111) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-phenyl-3-piperidin-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole.

Molecular Properties

Compound Name6-phenyl-3-piperidin-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole
PubChem CID139771111
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name6-phenyl-3-piperidin-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole
SMILESc1ccc(C2CCc3c(noc3N3CCCCC3)C2)cc1
InChIInChI=1S/C18H22N2O/c1-3-7-14(8-4-1)15-9-10-16-17(13-15)19-21-18(16)20-11-5-2-6-12-20/h1,3-4,7-8,15H,2,5-6,9-13H2
InChIKeyNKEXBBDGTSFITL-UHFFFAOYSA-N
XLogP3.94
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-piperidin-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole?
The IUPAC name of 6-phenyl-3-piperidin-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole (CID 139771111) is 6-phenyl-3-piperidin-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole.
What is the SMILES notation for 6-phenyl-3-piperidin-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole?
The canonical SMILES for 6-phenyl-3-piperidin-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole is c1ccc(C2CCc3c(noc3N3CCCCC3)C2)cc1.
What is the InChIKey of 6-phenyl-3-piperidin-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole?
The InChIKey is NKEXBBDGTSFITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-7-14(8-4-1)15-9-10-16-17(13-15)19-21-18(16)20-11-5-2-6-12-20/h1,3-4,7-8,15H,2,5-6,9-13H2.
What are the key properties of 6-phenyl-3-piperidin-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole?
6-phenyl-3-piperidin-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole has a molecular weight of 282.39 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-piperidin-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole is sourced from PubChem (CID 139771111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).