1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium

C16H32N6O+2 — CID 7391874

IUPAC1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium
SMILESCCCC[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CC[NH+](C)CC1
InChIInChI=1S/C16H30N6O/c1-3-4-7-15(21-10-8-20(2)9-11-21)16-17-18-19-22(16)13-14-6-5-12-23-14/h14-15H,3-13H2,1-2H3/p+2/t14-,15-/m1/s1
InChIKeySWUZLGZVGLXECM-HUUCEWRRSA-P
MW324.47 g/mol
LogP-1.50
Rot. Bonds7

About 1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium

1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium (PubChem CID 7391874) has the molecular formula C16H32N6O+2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium
PubChem CID7391874
Molecular FormulaC16H32N6O+2
Molecular Weight324.47 g/mol
Exact Mass324.26
IUPAC Name1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium
SMILESCCCC[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CC[NH+](C)CC1
InChIInChI=1S/C16H30N6O/c1-3-4-7-15(21-10-8-20(2)9-11-21)16-17-18-19-22(16)13-14-6-5-12-23-14/h14-15H,3-13H2,1-2H3/p+2/t14-,15-/m1/s1
InChIKeySWUZLGZVGLXECM-HUUCEWRRSA-P
XLogP-1.50
TPSA61.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium with MolForge

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Related Compounds

1-methyl-4-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium
CID 7391796
1-cyclopentyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium
CID 7391894
1-(4-methoxyphenyl)-4-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazin-4-ium
CID 7388917
1-(5-chloro-2-methylphenyl)-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazin-4-ium
CID 7098061
1-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]-4-phenylpiperazin-1-ium
CID 7388793
1-cyclohexyl-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine-1,4-diium
CID 7391790
1-(2,5-dimethylphenyl)-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]piperazin-4-ium
CID 7388779
1-[(S)-(2-chlorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
CID 7396157
5-(1-chloroethyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 103084369
1-cyclohexyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine
CID 5011336
1-(4-methoxyphenyl)-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazin-4-ium
CID 7388741
1-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]-4-prop-2-enylpiperazine
CID 7391891

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium?
The IUPAC name of 1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium (CID 7391874) is 1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium.
What is the SMILES notation for 1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium?
The canonical SMILES for 1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium is CCCC[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CC[NH+](C)CC1.
What is the InChIKey of 1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium?
The InChIKey is SWUZLGZVGLXECM-HUUCEWRRSA-P. The full InChI is InChI=1S/C16H30N6O/c1-3-4-7-15(21-10-8-20(2)9-11-21)16-17-18-19-22(16)13-14-6-5-12-23-14/h14-15H,3-13H2,1-2H3/p+2/t14-,15-/m1/s1.
What are the key properties of 1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium?
1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium has a molecular weight of 324.47 g/mol, XLogP of -1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1R)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]pentyl]piperazine-1,4-diium is sourced from PubChem (CID 7391874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).