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

C22H30N6+2 — CID 7383165

IUPAC1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
SMILESCc1ccc([C@H](c2nnnn2CCc2ccccc2)[NH+]2CC[NH+](C)CC2)cc1
InChIInChI=1S/C22H28N6/c1-18-8-10-20(11-9-18)21(27-16-14-26(2)15-17-27)22-23-24-25-28(22)13-12-19-6-4-3-5-7-19/h3-11,21H,12-17H2,1-2H3/p+2/t21-/m1/s1
InChIKeyZVKUCSLFGZFUKC-OAQYLSRUSA-P
MW378.52 g/mol
LogP-0.27
Rot. Bonds6

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

1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium (PubChem CID 7383165) has the molecular formula C22H30N6+2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
PubChem CID7383165
Molecular FormulaC22H30N6+2
Molecular Weight378.52 g/mol
Exact Mass378.25
IUPAC Name1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
SMILESCc1ccc([C@H](c2nnnn2CCc2ccccc2)[NH+]2CC[NH+](C)CC2)cc1
InChIInChI=1S/C22H28N6/c1-18-8-10-20(11-9-18)21(27-16-14-26(2)15-17-27)22-23-24-25-28(22)13-12-19-6-4-3-5-7-19/h3-11,21H,12-17H2,1-2H3/p+2/t21-/m1/s1
InChIKeyZVKUCSLFGZFUKC-OAQYLSRUSA-P
XLogP-0.27
TPSA52.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7397408
2-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7383032
1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
CID 7397433
1-[(R)-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine-1,4-diium
CID 7397481
4-[(S)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium
CID 7390819
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidin-1-ium
CID 6985792
1-[(S)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium
CID 7383091
1-[(R)-(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
CID 7397233
1-[(S)-(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
CID 7383061
4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]morpholine;hydrochloride
CID 171668621
4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium
CID 7390833
1-cyclopentyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 3210504

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium?
The IUPAC name of 1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium (CID 7383165) is 1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium.
What is the SMILES notation for 1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium?
The canonical SMILES for 1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium is Cc1ccc([C@H](c2nnnn2CCc2ccccc2)[NH+]2CC[NH+](C)CC2)cc1.
What is the InChIKey of 1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium?
The InChIKey is ZVKUCSLFGZFUKC-OAQYLSRUSA-P. The full InChI is InChI=1S/C22H28N6/c1-18-8-10-20(11-9-18)21(27-16-14-26(2)15-17-27)22-23-24-25-28(22)13-12-19-6-4-3-5-7-19/h3-11,21H,12-17H2,1-2H3/p+2/t21-/m1/s1.
What are the key properties of 1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium?
1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium has a molecular weight of 378.52 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium is sourced from PubChem (CID 7383165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).