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

C14H18N4O — CID 103204979

IUPAC3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine
SMILESc1ccc2nc(OCCC3CCCCN3)nnc2c1
InChIInChI=1S/C14H18N4O/c1-2-7-13-12(6-1)16-14(18-17-13)19-10-8-11-5-3-4-9-15-11/h1-2,6-7,11,15H,3-5,8-10H2
InChIKeyCAEZKEQFLJJJJL-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.94
Rot. Bonds4

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

3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine (PubChem CID 103204979) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine.

Molecular Properties

Compound Name3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine
PubChem CID103204979
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine
SMILESc1ccc2nc(OCCC3CCCCN3)nnc2c1
InChIInChI=1S/C14H18N4O/c1-2-7-13-12(6-1)16-14(18-17-13)19-10-8-11-5-3-4-9-15-11/h1-2,6-7,11,15H,3-5,8-10H2
InChIKeyCAEZKEQFLJJJJL-UHFFFAOYSA-N
XLogP1.94
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine
CID 103204981
2-(2-piperidin-2-ylethoxy)quinoxaline
CID 62359871
2-(2-piperidin-2-ylethoxy)-1,3-benzothiazole;hydrochloride
CID 71636566
3-(2-piperidin-2-ylethoxy)-2,1-benzothiazole
CID 66355743
4,6-dimethoxy-2-(2-piperidin-2-ylethoxy)pyrimidine
CID 115355534
3-(2-piperidin-2-ylethoxy)pyridazine
CID 62483689
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine
CID 64585870
(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 69002528
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
6-(2-piperidin-2-ylethoxy)pyridine-2-carboxamide
CID 64589008
3-(2-piperidin-2-ylethoxy)pyridine;hydrochloride
CID 56830402

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine?
The IUPAC name of 3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine (CID 103204979) is 3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine.
What is the SMILES notation for 3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine?
The canonical SMILES for 3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine is c1ccc2nc(OCCC3CCCCN3)nnc2c1.
What is the InChIKey of 3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine?
The InChIKey is CAEZKEQFLJJJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-7-13-12(6-1)16-14(18-17-13)19-10-8-11-5-3-4-9-15-11/h1-2,6-7,11,15H,3-5,8-10H2.
What are the key properties of 3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine?
3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine has a molecular weight of 258.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-2-ylethoxy)-1,2,4-benzotriazine is sourced from PubChem (CID 103204979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).