3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol

C13H16N2O2 — CID 84695678

IUPAC3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol
SMILESOc1cccc2c(CC3CCCCN3)noc12
InChIInChI=1S/C13H16N2O2/c16-12-6-3-5-10-11(15-17-13(10)12)8-9-4-1-2-7-14-9/h3,5-6,9,14,16H,1-2,4,7-8H2
InChIKeyRRNVTPBYRCWWLV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.22
Rot. Bonds2

About 3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol

3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol (PubChem CID 84695678) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol.

Molecular Properties

Compound Name3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol
PubChem CID84695678
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol
SMILESOc1cccc2c(CC3CCCCN3)noc12
InChIInChI=1S/C13H16N2O2/c16-12-6-3-5-10-11(15-17-13(10)12)8-9-4-1-2-7-14-9/h3,5-6,9,14,16H,1-2,4,7-8H2
InChIKeyRRNVTPBYRCWWLV-UHFFFAOYSA-N
XLogP2.22
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(piperidin-2-ylmethoxy)-1,2-benzoxazole
CID 84726604
3-methyl-2-(piperidin-2-ylmethyl)pyridine
CID 4715233
2-[5-(piperidin-2-ylmethyl)-1,2-oxazol-4-yl]phenol
CID 115053966
7-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 117308311
2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
CID 117326852
3-naphthalen-1-yl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 62716048
2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine
CID 117474525
2-[(8-methylfuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine
CID 115010239
4-ethyl-5-methyl-6-(piperidin-2-ylmethyl)pyrimidine
CID 83849476
3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole
CID 117474538
2-[(3-bromo-1-benzofuran-7-yl)methyl]pyrrolidine
CID 117449480
3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 83846520

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol?
The IUPAC name of 3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol (CID 84695678) is 3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol.
What is the SMILES notation for 3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol?
The canonical SMILES for 3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol is Oc1cccc2c(CC3CCCCN3)noc12.
What is the InChIKey of 3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol?
The InChIKey is RRNVTPBYRCWWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-12-6-3-5-10-11(15-17-13(10)12)8-9-4-1-2-7-14-9/h3,5-6,9,14,16H,1-2,4,7-8H2.
What are the key properties of 3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol?
3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol has a molecular weight of 232.28 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol is sourced from PubChem (CID 84695678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).