1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium

C19H32N6O2+2 — CID 7391433

IUPAC1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium
SMILESCC[C@H](c1nnnn1CCOC)[NH+]1CC[NH+](Cc2ccccc2OC)CC1
InChIInChI=1S/C19H30N6O2/c1-4-17(19-20-21-22-25(19)13-14-26-2)24-11-9-23(10-12-24)15-16-7-5-6-8-18(16)27-3/h5-8,17H,4,9-15H2,1-3H3/p+2/t17-/m1/s1
InChIKeyGFWZJSORRYRAHN-QGZVFWFLSA-P
MW376.51 g/mol
LogP-1.24
Rot. Bonds9

About 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium

1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium (PubChem CID 7391433) has the molecular formula C19H32N6O2+2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium
PubChem CID7391433
Molecular FormulaC19H32N6O2+2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium
SMILESCC[C@H](c1nnnn1CCOC)[NH+]1CC[NH+](Cc2ccccc2OC)CC1
InChIInChI=1S/C19H30N6O2/c1-4-17(19-20-21-22-25(19)13-14-26-2)24-11-9-23(10-12-24)15-16-7-5-6-8-18(16)27-3/h5-8,17H,4,9-15H2,1-3H3/p+2/t17-/m1/s1
InChIKeyGFWZJSORRYRAHN-QGZVFWFLSA-P
XLogP-1.24
TPSA70.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-(3-methoxyphenyl)piperazin-1-ium
CID 7388089
1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]-4-phenylpiperazine-1,4-diium
CID 7388191
1-[(2-methoxyphenyl)methyl]-4-[(1R)-2-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]propyl]piperazine-1,4-diium
CID 7384271
1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-phenylpiperazine-1,4-diium
CID 7388321
1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium
CID 7391651
1-ethyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine
CID 7391642
1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium
CID 7391705
1-(5-chloro-2-methylphenyl)-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazin-4-ium
CID 7388093
1-ethyl-4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazine-1,4-diium
CID 7397164
1-[(S)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-propylpiperazine-1,4-diium
CID 7140536
2-[(R)-(3,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7382983
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7391655

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium?
The IUPAC name of 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium (CID 7391433) is 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium.
What is the SMILES notation for 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium?
The canonical SMILES for 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium is CC[C@H](c1nnnn1CCOC)[NH+]1CC[NH+](Cc2ccccc2OC)CC1.
What is the InChIKey of 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium?
The InChIKey is GFWZJSORRYRAHN-QGZVFWFLSA-P. The full InChI is InChI=1S/C19H30N6O2/c1-4-17(19-20-21-22-25(19)13-14-26-2)24-11-9-23(10-12-24)15-16-7-5-6-8-18(16)27-3/h5-8,17H,4,9-15H2,1-3H3/p+2/t17-/m1/s1.
What are the key properties of 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium?
1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium has a molecular weight of 376.51 g/mol, XLogP of -1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium is sourced from PubChem (CID 7391433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).