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

C15H30N6 — CID 3209053

IUPAC1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1C(C)(C)CC)N1CCN(C)CC1
InChIInChI=1S/C15H30N6/c1-6-8-13(20-11-9-19(5)10-12-20)14-16-17-18-21(14)15(3,4)7-2/h13H,6-12H2,1-5H3
InChIKeyWFRPNEQOTDQBFF-UHFFFAOYSA-N
MW294.45 g/mol
LogP1.91
Rot. Bonds6

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

1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine (PubChem CID 3209053) has the molecular formula C15H30N6 and a molecular weight of 294.45 g/mol. Its IUPAC name is 1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
PubChem CID3209053
Molecular FormulaC15H30N6
Molecular Weight294.45 g/mol
Exact Mass294.25
IUPAC Name1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
SMILESCCCC(c1nnnn1C(C)(C)CC)N1CCN(C)CC1
InChIInChI=1S/C15H30N6/c1-6-8-13(20-11-9-19(5)10-12-20)14-16-17-18-21(14)15(3,4)7-2/h13H,6-12H2,1-5H3
InChIKeyWFRPNEQOTDQBFF-UHFFFAOYSA-N
XLogP1.91
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine
CID 1444307
1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]pentyl]piperazine
CID 3209073
1-methyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]butyl]piperazine
CID 857085
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-methylpiperazine
CID 860703
furan-2-yl-[4-[(1S)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone
CID 1444298
1-[(S)-(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1433955
4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
CID 43811951
1-cyclopentyl-4-[(1S)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine
CID 857698
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(4-fluorophenyl)piperazine
CID 1443711
1-benzyl-4-[(1S)-1-(1-tert-butyltetrazol-5-yl)butyl]piperazine
CID 1443719
1-[(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 3209139
1-[(2-methoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 44753204

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine (CID 3209053) is 1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine is CCCC(c1nnnn1C(C)(C)CC)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine?
The InChIKey is WFRPNEQOTDQBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6/c1-6-8-13(20-11-9-19(5)10-12-20)14-16-17-18-21(14)15(3,4)7-2/h13H,6-12H2,1-5H3.
What are the key properties of 1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine?
1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine has a molecular weight of 294.45 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 3209053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).