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

C13H16N4O — CID 103204981

IUPAC3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine
SMILESc1ccc2nc(OCC3CCCCN3)nnc2c1
InChIInChI=1S/C13H16N4O/c1-2-7-12-11(6-1)15-13(17-16-12)18-9-10-5-3-4-8-14-10/h1-2,6-7,10,14H,3-5,8-9H2
InChIKeyUFMQIXPOZUIWHV-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.55
Rot. Bonds3

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

3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine (PubChem CID 103204981) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine.

Molecular Properties

Compound Name3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine
PubChem CID103204981
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine
SMILESc1ccc2nc(OCC3CCCCN3)nnc2c1
InChIInChI=1S/C13H16N4O/c1-2-7-12-11(6-1)15-13(17-16-12)18-9-10-5-3-4-8-14-10/h1-2,6-7,10,14H,3-5,8-9H2
InChIKeyUFMQIXPOZUIWHV-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine
CID 103204979
3-(piperidin-3-ylmethoxy)-1,2,4-benzotriazine
CID 103204980
2-(piperidin-2-ylmethoxy)-1,3-benzothiazole;hydrochloride
CID 71636954
4-(piperidin-2-ylmethoxy)quinoline
CID 62348463
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553
N-methyl-3-[[(2R)-pyrrolidin-2-yl]methoxy]quinoxalin-2-amine
CID 97164715
N-cyclopropyl-N-(piperidin-2-ylmethyl)-1,2,4-benzotriazin-3-amine
CID 106641209
5-iodo-2-(piperidin-2-ylmethoxy)pyrimidine
CID 116649393
5-fluoro-2-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride
CID 71643590
4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile
CID 62349565
2-(2-piperidin-2-ylethoxy)quinoxaline
CID 62359871
2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride
CID 71636950

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine?
The IUPAC name of 3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine (CID 103204981) is 3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine.
What is the SMILES notation for 3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine?
The canonical SMILES for 3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine is c1ccc2nc(OCC3CCCCN3)nnc2c1.
What is the InChIKey of 3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine?
The InChIKey is UFMQIXPOZUIWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-7-12-11(6-1)15-13(17-16-12)18-9-10-5-3-4-8-14-10/h1-2,6-7,10,14H,3-5,8-9H2.
What are the key properties of 3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine?
3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine has a molecular weight of 244.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine is sourced from PubChem (CID 103204981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).