3-(piperidin-2-ylmethoxy)-1,2-benzoxazole

C13H16N2O2 — CID 84726604

IUPAC3-(piperidin-2-ylmethoxy)-1,2-benzoxazole
SMILESc1ccc2c(OCC3CCCCN3)noc2c1
InChIInChI=1S/C13H16N2O2/c1-2-7-12-11(6-1)13(15-17-12)16-9-10-5-3-4-8-14-10/h1-2,6-7,10,14H,3-5,8-9H2
InChIKeyADAWNJPLHVXDME-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.35
Rot. Bonds3

About 3-(piperidin-2-ylmethoxy)-1,2-benzoxazole

3-(piperidin-2-ylmethoxy)-1,2-benzoxazole (PubChem CID 84726604) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(piperidin-2-ylmethoxy)-1,2-benzoxazole.

Molecular Properties

Compound Name3-(piperidin-2-ylmethoxy)-1,2-benzoxazole
PubChem CID84726604
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(piperidin-2-ylmethoxy)-1,2-benzoxazole
SMILESc1ccc2c(OCC3CCCCN3)noc2c1
InChIInChI=1S/C13H16N2O2/c1-2-7-12-11(6-1)13(15-17-12)16-9-10-5-3-4-8-14-10/h1-2,6-7,10,14H,3-5,8-9H2
InChIKeyADAWNJPLHVXDME-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperidin-2-ylmethoxy)pyridin-3-ol;hydrochloride
CID 71646420
3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-benzothiazole
CID 97178424
4-(piperidin-2-ylmethoxy)quinoline
CID 62348463
(3R)-3-[2-(1,2-benzoxazol-3-yloxy)ethyl]piperazine-1-carboxylic acid
CID 68990967
3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol
CID 84695678
4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile
CID 62349565
2-(1-benzofuran-7-yloxymethyl)piperidine
CID 84694616
2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride
CID 71636950
6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline
CID 106542068
N-methyl-1-(pyrrolidin-2-ylmethoxy)isoquinolin-5-amine
CID 82572627
[2-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]methanol
CID 102820156
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-2-ylmethoxy)-1,2-benzoxazole?
The IUPAC name of 3-(piperidin-2-ylmethoxy)-1,2-benzoxazole (CID 84726604) is 3-(piperidin-2-ylmethoxy)-1,2-benzoxazole.
What is the SMILES notation for 3-(piperidin-2-ylmethoxy)-1,2-benzoxazole?
The canonical SMILES for 3-(piperidin-2-ylmethoxy)-1,2-benzoxazole is c1ccc2c(OCC3CCCCN3)noc2c1.
What is the InChIKey of 3-(piperidin-2-ylmethoxy)-1,2-benzoxazole?
The InChIKey is ADAWNJPLHVXDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-7-12-11(6-1)13(15-17-12)16-9-10-5-3-4-8-14-10/h1-2,6-7,10,14H,3-5,8-9H2.
What are the key properties of 3-(piperidin-2-ylmethoxy)-1,2-benzoxazole?
3-(piperidin-2-ylmethoxy)-1,2-benzoxazole has a molecular weight of 232.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-2-ylmethoxy)-1,2-benzoxazole is sourced from PubChem (CID 84726604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).