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

C15H28N6O — CID 3209477

IUPAC1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1CC1CCCO1)N1CCN(C)CC1
InChIInChI=1S/C15H28N6O/c1-3-5-14(20-9-7-19(2)8-10-20)15-16-17-18-21(15)12-13-6-4-11-22-13/h13-14H,3-12H2,1-2H3
InChIKeyHIYVFEYVXFJMEO-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.94
Rot. Bonds6

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

1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine (PubChem CID 3209477) has the molecular formula C15H28N6O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
PubChem CID3209477
Molecular FormulaC15H28N6O
Molecular Weight308.43 g/mol
Exact Mass308.23
IUPAC Name1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1CC1CCCO1)N1CCN(C)CC1
InChIInChI=1S/C15H28N6O/c1-3-5-14(20-9-7-19(2)8-10-20)15-16-17-18-21(15)12-13-6-4-11-22-13/h13-14H,3-12H2,1-2H3
InChIKeyHIYVFEYVXFJMEO-UHFFFAOYSA-N
XLogP0.94
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine (CID 3209477) is 1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine is CCCC(c1nnnn1CC1CCCO1)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The InChIKey is HIYVFEYVXFJMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O/c1-3-5-14(20-9-7-19(2)8-10-20)15-16-17-18-21(15)12-13-6-4-11-22-13/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
1-methyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine has a molecular weight of 308.43 g/mol, XLogP of 0.94, 6 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]butyl]piperazine is sourced from PubChem (CID 3209477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).