1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium

C22H30N6O+2 — CID 7397433

IUPAC1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
SMILESCOc1ccccc1[C@H](c1nnnn1CCc1ccccc1)[NH+]1CC[NH+](C)CC1
InChIInChI=1S/C22H28N6O/c1-26-14-16-27(17-15-26)21(19-10-6-7-11-20(19)29-2)22-23-24-25-28(22)13-12-18-8-4-3-5-9-18/h3-11,21H,12-17H2,1-2H3/p+2/t21-/m1/s1
InChIKeyYMTRJVLRYZTKSG-OAQYLSRUSA-P
MW394.52 g/mol
LogP-0.57
Rot. Bonds7

About 1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium

1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium (PubChem CID 7397433) has the molecular formula C22H30N6O+2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium.

Molecular Properties

Compound Name1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
PubChem CID7397433
Molecular FormulaC22H30N6O+2
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
SMILESCOc1ccccc1[C@H](c1nnnn1CCc1ccccc1)[NH+]1CC[NH+](C)CC1
InChIInChI=1S/C22H28N6O/c1-26-14-16-27(17-15-26)21(19-10-6-7-11-20(19)29-2)22-23-24-25-28(22)13-12-18-8-4-3-5-9-18/h3-11,21H,12-17H2,1-2H3/p+2/t21-/m1/s1
InChIKeyYMTRJVLRYZTKSG-OAQYLSRUSA-P
XLogP-0.57
TPSA61.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium with MolForge

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Related Compounds

1-[(R)-(2-methoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
CID 7397256
1-[(R)-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine-1,4-diium
CID 7397481
1-[(R)-(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium
CID 7396462
1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7383165
1-[(S)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium
CID 7383091
1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium
CID 7391651
1-[(R)-(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-ethylpiperazine-1,4-diium
CID 7396452
1-ethyl-4-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 7397427
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7391655
1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7397408
1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
CID 7397446
1-(2-methoxyphenyl)-4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 43818141

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium?
The IUPAC name of 1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium (CID 7397433) is 1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium.
What is the SMILES notation for 1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium?
The canonical SMILES for 1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium is COc1ccccc1[C@H](c1nnnn1CCc1ccccc1)[NH+]1CC[NH+](C)CC1.
What is the InChIKey of 1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium?
The InChIKey is YMTRJVLRYZTKSG-OAQYLSRUSA-P. The full InChI is InChI=1S/C22H28N6O/c1-26-14-16-27(17-15-26)21(19-10-6-7-11-20(19)29-2)22-23-24-25-28(22)13-12-18-8-4-3-5-9-18/h3-11,21H,12-17H2,1-2H3/p+2/t21-/m1/s1.
What are the key properties of 1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium?
1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium has a molecular weight of 394.52 g/mol, XLogP of -0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium is sourced from PubChem (CID 7397433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).