1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine

C14H26N6O — CID 3209467

IUPAC1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
SMILESCCC(c1nnnn1CC1CCCO1)N1CCN(C)CC1
InChIInChI=1S/C14H26N6O/c1-3-13(19-8-6-18(2)7-9-19)14-15-16-17-20(14)11-12-5-4-10-21-12/h12-13H,3-11H2,1-2H3
InChIKeyJRXNPQAWVXIFLK-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.55
Rot. Bonds5

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

1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine (PubChem CID 3209467) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
PubChem CID3209467
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
SMILESCCC(c1nnnn1CC1CCCO1)N1CCN(C)CC1
InChIInChI=1S/C14H26N6O/c1-3-13(19-8-6-18(2)7-9-19)14-15-16-17-20(14)11-12-5-4-10-21-12/h12-13H,3-11H2,1-2H3
InChIKeyJRXNPQAWVXIFLK-UHFFFAOYSA-N
XLogP0.55
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine?
The IUPAC name of 1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine (CID 3209467) is 1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine?
The canonical SMILES for 1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine is CCC(c1nnnn1CC1CCCO1)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine?
The InChIKey is JRXNPQAWVXIFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-3-13(19-8-6-18(2)7-9-19)14-15-16-17-20(14)11-12-5-4-10-21-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine?
1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine has a molecular weight of 294.40 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine is sourced from PubChem (CID 3209467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).