1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine

C17H32N6O — CID 3209506

IUPAC1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCN1CCN(C(CC(C)C)c2nnnn2CC2CCCO2)CC1
InChIInChI=1S/C17H32N6O/c1-4-21-7-9-22(10-8-21)16(12-14(2)3)17-18-19-20-23(17)13-15-6-5-11-24-15/h14-16H,4-13H2,1-3H3
InChIKeyTUEIZGZBLUQOPI-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.58
Rot. Bonds7

About 1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine

1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine (PubChem CID 3209506) has the molecular formula C17H32N6O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
PubChem CID3209506
Molecular FormulaC17H32N6O
Molecular Weight336.48 g/mol
Exact Mass336.26
IUPAC Name1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCN1CCN(C(CC(C)C)c2nnnn2CC2CCCO2)CC1
InChIInChI=1S/C17H32N6O/c1-4-21-7-9-22(10-8-21)16(12-14(2)3)17-18-19-20-23(17)13-15-6-5-11-24-15/h14-16H,4-13H2,1-3H3
InChIKeyTUEIZGZBLUQOPI-UHFFFAOYSA-N
XLogP1.58
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine (CID 3209506) is 1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine is CCN1CCN(C(CC(C)C)c2nnnn2CC2CCCO2)CC1.
What is the InChIKey of 1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The InChIKey is TUEIZGZBLUQOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6O/c1-4-21-7-9-22(10-8-21)16(12-14(2)3)17-18-19-20-23(17)13-15-6-5-11-24-15/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine has a molecular weight of 336.48 g/mol, XLogP of 1.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 3209506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).