6-(piperidin-4-ylmethoxy)-1,3-benzoxazole

C13H16N2O2 — CID 84695642

IUPAC6-(piperidin-4-ylmethoxy)-1,3-benzoxazole
SMILESc1nc2ccc(OCC3CCNCC3)cc2o1
InChIInChI=1S/C13H16N2O2/c1-2-12-13(17-9-15-12)7-11(1)16-8-10-3-5-14-6-4-10/h1-2,7,9-10,14H,3-6,8H2
InChIKeyOLVOICILMYZOMU-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.21
Rot. Bonds3

About 6-(piperidin-4-ylmethoxy)-1,3-benzoxazole

6-(piperidin-4-ylmethoxy)-1,3-benzoxazole (PubChem CID 84695642) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-(piperidin-4-ylmethoxy)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(piperidin-4-ylmethoxy)-1,3-benzoxazole
PubChem CID84695642
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-(piperidin-4-ylmethoxy)-1,3-benzoxazole
SMILESc1nc2ccc(OCC3CCNCC3)cc2o1
InChIInChI=1S/C13H16N2O2/c1-2-12-13(17-9-15-12)7-11(1)16-8-10-3-5-14-6-4-10/h1-2,7,9-10,14H,3-6,8H2
InChIKeyOLVOICILMYZOMU-UHFFFAOYSA-N
XLogP2.21
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-6-(piperidin-4-ylmethoxy)quinoxaline
CID 82189775
5-(azetidin-3-ylmethoxy)-1,3-benzoxazole
CID 84672193
7-(piperidin-4-ylmethoxy)chromen-2-one
CID 26191137
4-[(3,4-difluorophenoxy)methyl]piperidine
CID 17178047
4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
CID 56831093
1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine
CID 116935891
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682
4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride
CID 46735634
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-pyrrolidin-3-ylethanamine
CID 115210874
3-(piperidin-4-ylmethoxy)aniline
CID 89233329
4-[(3-chlorophenoxy)methyl]piperidine
CID 26191052

Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-4-ylmethoxy)-1,3-benzoxazole?
The IUPAC name of 6-(piperidin-4-ylmethoxy)-1,3-benzoxazole (CID 84695642) is 6-(piperidin-4-ylmethoxy)-1,3-benzoxazole.
What is the SMILES notation for 6-(piperidin-4-ylmethoxy)-1,3-benzoxazole?
The canonical SMILES for 6-(piperidin-4-ylmethoxy)-1,3-benzoxazole is c1nc2ccc(OCC3CCNCC3)cc2o1.
What is the InChIKey of 6-(piperidin-4-ylmethoxy)-1,3-benzoxazole?
The InChIKey is OLVOICILMYZOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-12-13(17-9-15-12)7-11(1)16-8-10-3-5-14-6-4-10/h1-2,7,9-10,14H,3-6,8H2.
What are the key properties of 6-(piperidin-4-ylmethoxy)-1,3-benzoxazole?
6-(piperidin-4-ylmethoxy)-1,3-benzoxazole has a molecular weight of 232.28 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-4-ylmethoxy)-1,3-benzoxazole is sourced from PubChem (CID 84695642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).