3-(benzotriazol-1-yloxy)-1-N,1-N,2-N,2-N,2-N',2-N'-hexamethylpiperidine-1,2,2-triamine

C17H29N7O — CID 159529697

IUPAC3-(benzotriazol-1-yloxy)-1-N,1-N,2-N,2-N,2-N',2-N'-hexamethylpiperidine-1,2,2-triamine
SMILESCN(C)N1CCCC(On2nnc3ccccc32)C1(N(C)C)N(C)C
InChIInChI=1S/C17H29N7O/c1-20(2)17(21(3)4)16(12-9-13-23(17)22(5)6)25-24-15-11-8-7-10-14(15)18-19-24/h7-8,10-11,16H,9,12-13H2,1-6H3
InChIKeyMCVIYOHZFPVSPW-UHFFFAOYSA-N
MW347.47 g/mol
LogP0.58
Rot. Bonds5

About 3-(benzotriazol-1-yloxy)-1-N,1-N,2-N,2-N,2-N',2-N'-hexamethylpiperidine-1,2,2-triamine

3-(benzotriazol-1-yloxy)-1-N,1-N,2-N,2-N,2-N',2-N'-hexamethylpiperidine-1,2,2-triamine (PubChem CID 159529697) has the molecular formula C17H29N7O and a molecular weight of 347.47 g/mol. Its IUPAC name is 3-(benzotriazol-1-yloxy)-1-N,1-N,2-N,2-N,2-N',2-N'-hexamethylpiperidine-1,2,2-triamine.

Molecular Properties

Compound Name3-(benzotriazol-1-yloxy)-1-N,1-N,2-N,2-N,2-N',2-N'-hexamethylpiperidine-1,2,2-triamine
PubChem CID159529697
Molecular FormulaC17H29N7O
Molecular Weight347.47 g/mol
Exact Mass347.24
IUPAC Name3-(benzotriazol-1-yloxy)-1-N,1-N,2-N,2-N,2-N',2-N'-hexamethylpiperidine-1,2,2-triamine
SMILESCN(C)N1CCCC(On2nnc3ccccc32)C1(N(C)C)N(C)C
InChIInChI=1S/C17H29N7O/c1-20(2)17(21(3)4)16(12-9-13-23(17)22(5)6)25-24-15-11-8-7-10-14(15)18-19-24/h7-8,10-11,16H,9,12-13H2,1-6H3
InChIKeyMCVIYOHZFPVSPW-UHFFFAOYSA-N
XLogP0.58
TPSA52.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yloxy)-1-N,1-N,2-N,2-N,2-N',2-N'-hexamethylpiperidine-1,2,2-triamine?
The IUPAC name of 3-(benzotriazol-1-yloxy)-1-N,1-N,2-N,2-N,2-N',2-N'-hexamethylpiperidine-1,2,2-triamine (CID 159529697) is 3-(benzotriazol-1-yloxy)-1-N,1-N,2-N,2-N,2-N',2-N'-hexamethylpiperidine-1,2,2-triamine.
What is the SMILES notation for 3-(benzotriazol-1-yloxy)-1-N,1-N,2-N,2-N,2-N',2-N'-hexamethylpiperidine-1,2,2-triamine?
The canonical SMILES for 3-(benzotriazol-1-yloxy)-1-N,1-N,2-N,2-N,2-N',2-N'-hexamethylpiperidine-1,2,2-triamine is CN(C)N1CCCC(On2nnc3ccccc32)C1(N(C)C)N(C)C.
What is the InChIKey of 3-(benzotriazol-1-yloxy)-1-N,1-N,2-N,2-N,2-N',2-N'-hexamethylpiperidine-1,2,2-triamine?
The InChIKey is MCVIYOHZFPVSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N7O/c1-20(2)17(21(3)4)16(12-9-13-23(17)22(5)6)25-24-15-11-8-7-10-14(15)18-19-24/h7-8,10-11,16H,9,12-13H2,1-6H3.
What are the key properties of 3-(benzotriazol-1-yloxy)-1-N,1-N,2-N,2-N,2-N',2-N'-hexamethylpiperidine-1,2,2-triamine?
3-(benzotriazol-1-yloxy)-1-N,1-N,2-N,2-N,2-N',2-N'-hexamethylpiperidine-1,2,2-triamine has a molecular weight of 347.47 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yloxy)-1-N,1-N,2-N,2-N,2-N',2-N'-hexamethylpiperidine-1,2,2-triamine is sourced from PubChem (CID 159529697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).