7-(piperidin-2-ylmethyl)-1,3-benzoxazole

C13H16N2O — CID 117308311

IUPAC7-(piperidin-2-ylmethyl)-1,3-benzoxazole
SMILESc1cc(CC2CCCCN2)c2ocnc2c1
InChIInChI=1S/C13H16N2O/c1-2-7-14-11(5-1)8-10-4-3-6-12-13(10)16-9-15-12/h3-4,6,9,11,14H,1-2,5,7-8H2
InChIKeyCPELYMJTQAGLKY-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.51
Rot. Bonds2

About 7-(piperidin-2-ylmethyl)-1,3-benzoxazole

7-(piperidin-2-ylmethyl)-1,3-benzoxazole (PubChem CID 117308311) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 7-(piperidin-2-ylmethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-(piperidin-2-ylmethyl)-1,3-benzoxazole
PubChem CID117308311
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name7-(piperidin-2-ylmethyl)-1,3-benzoxazole
SMILESc1cc(CC2CCCCN2)c2ocnc2c1
InChIInChI=1S/C13H16N2O/c1-2-7-14-11(5-1)8-10-4-3-6-12-13(10)16-9-15-12/h3-4,6,9,11,14H,1-2,5,7-8H2
InChIKeyCPELYMJTQAGLKY-UHFFFAOYSA-N
XLogP2.51
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine
CID 117474525
2-[(3-bromo-1-benzofuran-7-yl)methyl]pyrrolidine
CID 117449480
5-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 82279461
2-(piperidin-2-ylmethyl)aniline
CID 84662844
2-[(2-propoxyphenyl)methyl]piperidine
CID 104662380
3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol
CID 84695678
2-[(2-cyclopropylphenyl)methyl]piperidine
CID 138039409
7-(pyrrolidin-2-ylmethyl)-1,3-benzoxathiol-2-one
CID 117342600
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983
N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 94416055
2-[(2-pentan-3-ylphenyl)methyl]piperidine
CID 117366332
3-methyl-2-(piperidin-2-ylmethyl)pyridine
CID 4715233

Frequently Asked Questions

What is the IUPAC name of 7-(piperidin-2-ylmethyl)-1,3-benzoxazole?
The IUPAC name of 7-(piperidin-2-ylmethyl)-1,3-benzoxazole (CID 117308311) is 7-(piperidin-2-ylmethyl)-1,3-benzoxazole.
What is the SMILES notation for 7-(piperidin-2-ylmethyl)-1,3-benzoxazole?
The canonical SMILES for 7-(piperidin-2-ylmethyl)-1,3-benzoxazole is c1cc(CC2CCCCN2)c2ocnc2c1.
What is the InChIKey of 7-(piperidin-2-ylmethyl)-1,3-benzoxazole?
The InChIKey is CPELYMJTQAGLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-7-14-11(5-1)8-10-4-3-6-12-13(10)16-9-15-12/h3-4,6,9,11,14H,1-2,5,7-8H2.
What are the key properties of 7-(piperidin-2-ylmethyl)-1,3-benzoxazole?
7-(piperidin-2-ylmethyl)-1,3-benzoxazole has a molecular weight of 216.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperidin-2-ylmethyl)-1,3-benzoxazole is sourced from PubChem (CID 117308311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).