3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine

C13H16N4O — CID 103204980

IUPAC3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine
SMILESc1ccc2nc(OCC3CCCNC3)nnc2c1
InChIInChI=1S/C13H16N4O/c1-2-6-12-11(5-1)15-13(17-16-12)18-9-10-4-3-7-14-8-10/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyBIXASOBHLKVQDT-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.40
Rot. Bonds3

About 3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine

3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine (PubChem CID 103204980) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine.

Molecular Properties

Compound Name3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine
PubChem CID103204980
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine
SMILESc1ccc2nc(OCC3CCCNC3)nnc2c1
InChIInChI=1S/C13H16N4O/c1-2-6-12-11(5-1)15-13(17-16-12)18-9-10-4-3-7-14-8-10/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyBIXASOBHLKVQDT-UHFFFAOYSA-N
XLogP1.40
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 86318074
3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine
CID 103204981
2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole
CID 94407294
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole
CID 165354182
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
[2-(1,2,4-benzotriazin-3-yloxymethyl)cyclopentyl]methanamine
CID 103204995
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
(3R)-3-[(1-bromonaphthalen-2-yl)oxymethyl]piperidine
CID 26190840

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine?
The IUPAC name of 3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine (CID 103204980) is 3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine.
What is the SMILES notation for 3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine?
The canonical SMILES for 3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine is c1ccc2nc(OCC3CCCNC3)nnc2c1.
What is the InChIKey of 3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine?
The InChIKey is BIXASOBHLKVQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-6-12-11(5-1)15-13(17-16-12)18-9-10-4-3-7-14-8-10/h1-2,5-6,10,14H,3-4,7-9H2.
What are the key properties of 3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine?
3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine has a molecular weight of 244.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine is sourced from PubChem (CID 103204980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).