2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole

C13H16N2O2 — CID 94407294

IUPAC2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole
SMILESc1ccc2oc(OC[C@@H]3CCCNC3)nc2c1
InChIInChI=1S/C13H16N2O2/c1-2-6-12-11(5-1)15-13(17-12)16-9-10-4-3-7-14-8-10/h1-2,5-6,10,14H,3-4,7-9H2/t10-/m1/s1
InChIKeyDSVBPJYOOQCDBM-SNVBAGLBSA-N
MW232.28 g/mol
LogP2.21
Rot. Bonds3

About 2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole

2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole (PubChem CID 94407294) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole
PubChem CID94407294
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole
SMILESc1ccc2oc(OC[C@@H]3CCCNC3)nc2c1
InChIInChI=1S/C13H16N2O2/c1-2-6-12-11(5-1)15-13(17-12)16-9-10-4-3-7-14-8-10/h1-2,5-6,10,14H,3-4,7-9H2/t10-/m1/s1
InChIKeyDSVBPJYOOQCDBM-SNVBAGLBSA-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-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride
CID 71636674
2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride
CID 71636950
3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine
CID 103204980
2-methyl-3-(piperidin-3-ylmethoxy)quinoxaline
CID 55067629
2-ethoxy-3-(piperidin-3-ylmethoxy)quinoxaline
CID 71639733
3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine
CID 97165192
1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole
CID 165354182
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole
CID 117098151
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
2-(piperidin-3-ylmethoxy)phenol;hydrochloride
CID 162016330
2-ethyl-6-(piperidin-3-ylmethoxy)-1,3-benzoxazole
CID 117098302

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole?
The IUPAC name of 2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole (CID 94407294) is 2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole.
What is the SMILES notation for 2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole?
The canonical SMILES for 2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole is c1ccc2oc(OC[C@@H]3CCCNC3)nc2c1.
What is the InChIKey of 2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole?
The InChIKey is DSVBPJYOOQCDBM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-6-12-11(5-1)15-13(17-12)16-9-10-4-3-7-14-8-10/h1-2,5-6,10,14H,3-4,7-9H2/t10-/m1/s1.
What are the key properties of 2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole?
2-[[(3R)-piperidin-3-yl]methoxy]-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 2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole is sourced from PubChem (CID 94407294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).