1-ethyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine

C16H30N6O — CID 3209476

IUPAC1-ethyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1CC1CCCO1)N1CCN(CC)CC1
InChIInChI=1S/C16H30N6O/c1-3-6-15(21-10-8-20(4-2)9-11-21)16-17-18-19-22(16)13-14-7-5-12-23-14/h14-15H,3-13H2,1-2H3
InChIKeyNRMAXYPBQMZIJV-UHFFFAOYSA-N
MW322.46 g/mol
LogP1.33
Rot. Bonds7

About 1-ethyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine

1-ethyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine (PubChem CID 3209476) has the molecular formula C16H30N6O and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-ethyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
PubChem CID3209476
Molecular FormulaC16H30N6O
Molecular Weight322.46 g/mol
Exact Mass322.25
IUPAC Name1-ethyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1CC1CCCO1)N1CCN(CC)CC1
InChIInChI=1S/C16H30N6O/c1-3-6-15(21-10-8-20(4-2)9-11-21)16-17-18-19-22(16)13-14-7-5-12-23-14/h14-15H,3-13H2,1-2H3
InChIKeyNRMAXYPBQMZIJV-UHFFFAOYSA-N
XLogP1.33
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 51.33
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-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-ethyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine (CID 3209476) is 1-ethyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-ethyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine is CCCC(c1nnnn1CC1CCCO1)N1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The InChIKey is NRMAXYPBQMZIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O/c1-3-6-15(21-10-8-20(4-2)9-11-21)16-17-18-19-22(16)13-14-7-5-12-23-14/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-ethyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
1-ethyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine has a molecular weight of 322.46 g/mol, XLogP of 1.33, 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-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 3209476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).