1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine;hydrochloride

C15H31ClN6 — CID 6603163

IUPAC1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine;hydrochloride
SMILESCCC(C)(C)n1nnnc1C(C(C)C)N1CCN(C)CC1.Cl
InChIInChI=1S/C15H30N6.ClH/c1-7-15(4,5)21-14(16-17-18-21)13(12(2)3)20-10-8-19(6)9-11-20;/h12-13H,7-11H2,1-6H3;1H
InChIKeyJCLULMSDWZBCJZ-UHFFFAOYSA-N
MW330.91 g/mol
LogP2.18
Rot. Bonds5

About 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine;hydrochloride

1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine;hydrochloride (PubChem CID 6603163) has the molecular formula C15H31ClN6 and a molecular weight of 330.91 g/mol. Its IUPAC name is 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine;hydrochloride
PubChem CID6603163
Molecular FormulaC15H31ClN6
Molecular Weight330.91 g/mol
Exact Mass330.23
IUPAC Name1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine;hydrochloride
SMILESCCC(C)(C)n1nnnc1C(C(C)C)N1CCN(C)CC1.Cl
InChIInChI=1S/C15H30N6.ClH/c1-7-15(4,5)21-14(16-17-18-21)13(12(2)3)20-10-8-19(6)9-11-20;/h12-13H,7-11H2,1-6H3;1H
InChIKeyJCLULMSDWZBCJZ-UHFFFAOYSA-N
XLogP2.18
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.91
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-{1-[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-thiomorpholine
CID 647831
1-(1-tert-Butyl-1H-tetrazol-5-ylmethyl)-4-ethyl-piperazine
CID 648606
4-[1-(1-tert-Butyl-1H-tetrazol-5-yl)-2-methyl-propyl]-morpholine
CID 3193641
1-Cyclopentyl-4-{1-[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-butyl}-piperazine
CID 6602637
1-[1-(1-tert-Butyl-1H-tetrazol-5-yl)-propyl]-4-cyclopentyl-piperazine
CID 655057
1-(1-tert-Butyl-1H-tetrazol-5-ylmethyl)-4-cyclopentyl-piperazine
CID 655281
1-[1-(1-tert-Butyl-1H-tetrazol-5-yl)-3-methyl-butyl]-4-cyclopentyl-piperazine
CID 6602632
1-(1-Isopropyl-1H-tetrazol-5-ylmethyl)-4-methyl-piperazine
CID 6603026
1-[1-(1-Cyclopentyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperidine
CID 9549573
1-Methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine
CID 646557
1-Methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine
CID 652637
1-Cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazine
CID 654968

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine;hydrochloride?
The IUPAC name of 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine;hydrochloride (CID 6603163) is 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine;hydrochloride?
The canonical SMILES for 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine;hydrochloride is CCC(C)(C)n1nnnc1C(C(C)C)N1CCN(C)CC1.Cl.
What is the InChIKey of 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine;hydrochloride?
The InChIKey is JCLULMSDWZBCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6.ClH/c1-7-15(4,5)21-14(16-17-18-21)13(12(2)3)20-10-8-19(6)9-11-20;/h12-13H,7-11H2,1-6H3;1H.
What are the key properties of 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine;hydrochloride?
1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine;hydrochloride has a molecular weight of 330.91 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine;hydrochloride is sourced from PubChem (CID 6603163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).