1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine

C13H26N6O — CID 3209202

IUPAC1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine
SMILESCCC(c1nnnn1CCOC)N1CCN(CC)CC1
InChIInChI=1S/C13H26N6O/c1-4-12(18-8-6-17(5-2)7-9-18)13-14-15-16-19(13)10-11-20-3/h12H,4-11H2,1-3H3
InChIKeyNIBZDCUCYFHIIN-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.41
Rot. Bonds7

About 1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine

1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine (PubChem CID 3209202) has the molecular formula C13H26N6O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine
PubChem CID3209202
Molecular FormulaC13H26N6O
Molecular Weight282.39 g/mol
Exact Mass282.22
IUPAC Name1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine
SMILESCCC(c1nnnn1CCOC)N1CCN(CC)CC1
InChIInChI=1S/C13H26N6O/c1-4-12(18-8-6-17(5-2)7-9-18)13-14-15-16-19(13)10-11-20-3/h12H,4-11H2,1-3H3
InChIKeyNIBZDCUCYFHIIN-UHFFFAOYSA-N
XLogP0.41
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine?
The IUPAC name of 1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine (CID 3209202) is 1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine?
The canonical SMILES for 1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine is CCC(c1nnnn1CCOC)N1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine?
The InChIKey is NIBZDCUCYFHIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O/c1-4-12(18-8-6-17(5-2)7-9-18)13-14-15-16-19(13)10-11-20-3/h12H,4-11H2,1-3H3.
What are the key properties of 1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine?
1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine has a molecular weight of 282.39 g/mol, XLogP of 0.41, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazine is sourced from PubChem (CID 3209202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).