1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-ethylpiperazine

C18H28N6 — CID 53301011

IUPAC1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-ethylpiperazine
SMILESCCC(c1nnnn1-c1c(C)cccc1C)N1CCN(CC)CC1
InChIInChI=1S/C18H28N6/c1-5-16(23-12-10-22(6-2)11-13-23)18-19-20-21-24(18)17-14(3)8-7-9-15(17)4/h7-9,16H,5-6,10-13H2,1-4H3
InChIKeyBUCTUHHQFWILDB-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.37
Rot. Bonds5

About 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-ethylpiperazine

1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-ethylpiperazine (PubChem CID 53301011) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-ethylpiperazine
PubChem CID53301011
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-ethylpiperazine
SMILESCCC(c1nnnn1-c1c(C)cccc1C)N1CCN(CC)CC1
InChIInChI=1S/C18H28N6/c1-5-16(23-12-10-22(6-2)11-13-23)18-19-20-21-24(18)17-14(3)8-7-9-15(17)4/h7-9,16H,5-6,10-13H2,1-4H3
InChIKeyBUCTUHHQFWILDB-UHFFFAOYSA-N
XLogP2.37
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-ethylpiperazine?
The IUPAC name of 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-ethylpiperazine (CID 53301011) is 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-ethylpiperazine?
The canonical SMILES for 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-ethylpiperazine is CCC(c1nnnn1-c1c(C)cccc1C)N1CCN(CC)CC1.
What is the InChIKey of 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-ethylpiperazine?
The InChIKey is BUCTUHHQFWILDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-5-16(23-12-10-22(6-2)11-13-23)18-19-20-21-24(18)17-14(3)8-7-9-15(17)4/h7-9,16H,5-6,10-13H2,1-4H3.
What are the key properties of 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-ethylpiperazine?
1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-ethylpiperazine has a molecular weight of 328.46 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]propyl]-4-ethylpiperazine is sourced from PubChem (CID 53301011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).