6-piperidin-4-yl-2,1-benzoxazole

C12H14N2O — CID 84776818

IUPAC6-piperidin-4-yl-2,1-benzoxazole
SMILESc1cc2conc2cc1C1CCNCC1
InChIInChI=1S/C12H14N2O/c1-2-11-8-15-14-12(11)7-10(1)9-3-5-13-6-4-9/h1-2,7-9,13H,3-6H2
InChIKeyHKACPONPMHVXJL-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.29
Rot. Bonds1

About 6-piperidin-4-yl-2,1-benzoxazole

6-piperidin-4-yl-2,1-benzoxazole (PubChem CID 84776818) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-piperidin-4-yl-2,1-benzoxazole.

Molecular Properties

Compound Name6-piperidin-4-yl-2,1-benzoxazole
PubChem CID84776818
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name6-piperidin-4-yl-2,1-benzoxazole
SMILESc1cc2conc2cc1C1CCNCC1
InChIInChI=1S/C12H14N2O/c1-2-11-8-15-14-12(11)7-10(1)9-3-5-13-6-4-9/h1-2,7-9,13H,3-6H2
InChIKeyHKACPONPMHVXJL-UHFFFAOYSA-N
XLogP2.29
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-pyrrolidin-3-yl-2,1-benzoxazole
CID 82405036
2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole
CID 117399909
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
2-tert-butyl-5-piperidin-4-yl-1,3-benzoxazole
CID 117399869
7-piperidin-4-ylchromen-2-one
CID 158709032
3-methyl-7-piperidin-4-ylisoquinoline
CID 117325822
4-methyl-7-piperidin-4-ylisoquinoline
CID 117325821
4-[4-(oxetan-3-yl)phenyl]piperidine
CID 83836156
2,6-dimethyl-4-piperidin-4-ylpyridine
CID 82403777
2-chloro-4-piperidin-4-ylpyridine;dihydrochloride
CID 167994882
ethane;7-piperidin-4-ylisoquinolin-1-amine
CID 91457940
4-(5-cyclohexyl-2-benzofuran-1-yl)piperidine
CID 57087225

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-4-yl-2,1-benzoxazole?
The IUPAC name of 6-piperidin-4-yl-2,1-benzoxazole (CID 84776818) is 6-piperidin-4-yl-2,1-benzoxazole.
What is the SMILES notation for 6-piperidin-4-yl-2,1-benzoxazole?
The canonical SMILES for 6-piperidin-4-yl-2,1-benzoxazole is c1cc2conc2cc1C1CCNCC1.
What is the InChIKey of 6-piperidin-4-yl-2,1-benzoxazole?
The InChIKey is HKACPONPMHVXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-11-8-15-14-12(11)7-10(1)9-3-5-13-6-4-9/h1-2,7-9,13H,3-6H2.
What are the key properties of 6-piperidin-4-yl-2,1-benzoxazole?
6-piperidin-4-yl-2,1-benzoxazole has a molecular weight of 202.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-4-yl-2,1-benzoxazole is sourced from PubChem (CID 84776818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).