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

C15H30N6O — CID 3209235

IUPAC1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine
SMILESCCCCC(c1nnnn1CCOC)N1CCN(CC)CC1
InChIInChI=1S/C15H30N6O/c1-4-6-7-14(20-10-8-19(5-2)9-11-20)15-16-17-18-21(15)12-13-22-3/h14H,4-13H2,1-3H3
InChIKeyNGNQHGICLXESLS-UHFFFAOYSA-N
MW310.45 g/mol
LogP1.19
Rot. Bonds9

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

1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine (PubChem CID 3209235) has the molecular formula C15H30N6O and a molecular weight of 310.45 g/mol. Its IUPAC name is 1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine
PubChem CID3209235
Molecular FormulaC15H30N6O
Molecular Weight310.45 g/mol
Exact Mass310.25
IUPAC Name1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine
SMILESCCCCC(c1nnnn1CCOC)N1CCN(CC)CC1
InChIInChI=1S/C15H30N6O/c1-4-6-7-14(20-10-8-19(5-2)9-11-20)15-16-17-18-21(15)12-13-22-3/h14H,4-13H2,1-3H3
InChIKeyNGNQHGICLXESLS-UHFFFAOYSA-N
XLogP1.19
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 51.19
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]pentyl]piperazine?
The IUPAC name of 1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine (CID 3209235) is 1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine?
The canonical SMILES for 1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine is CCCCC(c1nnnn1CCOC)N1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine?
The InChIKey is NGNQHGICLXESLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6O/c1-4-6-7-14(20-10-8-19(5-2)9-11-20)15-16-17-18-21(15)12-13-22-3/h14H,4-13H2,1-3H3.
What are the key properties of 1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine?
1-ethyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine has a molecular weight of 310.45 g/mol, XLogP of 1.19, 9 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]pentyl]piperazine is sourced from PubChem (CID 3209235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).