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

C26H36N6+2 — CID 7397408

IUPAC1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
SMILESCc1ccc([C@H](c2nnnn2CCc2ccccc2)[NH+]2CC[NH+](C3CCCC3)CC2)cc1
InChIInChI=1S/C26H34N6/c1-21-11-13-23(14-12-21)25(31-19-17-30(18-20-31)24-9-5-6-10-24)26-27-28-29-32(26)16-15-22-7-3-2-4-8-22/h2-4,7-8,11-14,24-25H,5-6,9-10,15-20H2,1H3/p+2/t25-/m1/s1
InChIKeyMJMKYGVKACMINZ-RUZDIDTESA-P
MW432.62 g/mol
LogP1.04
Rot. Bonds7

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

1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium (PubChem CID 7397408) has the molecular formula C26H36N6+2 and a molecular weight of 432.62 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium.

Molecular Properties

Compound Name1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
PubChem CID7397408
Molecular FormulaC26H36N6+2
Molecular Weight432.62 g/mol
Exact Mass432.30
IUPAC Name1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
SMILESCc1ccc([C@H](c2nnnn2CCc2ccccc2)[NH+]2CC[NH+](C3CCCC3)CC2)cc1
InChIInChI=1S/C26H34N6/c1-21-11-13-23(14-12-21)25(31-19-17-30(18-20-31)24-9-5-6-10-24)26-27-28-29-32(26)16-15-22-7-3-2-4-8-22/h2-4,7-8,11-14,24-25H,5-6,9-10,15-20H2,1H3/p+2/t25-/m1/s1
InChIKeyMJMKYGVKACMINZ-RUZDIDTESA-P
XLogP1.04
TPSA52.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.62
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7383165
1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1,4-diium
CID 7391551
2-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7383032
1-cyclopentyl-4-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine-1,4-diium
CID 7391340
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidin-1-ium
CID 6985792
1-cyclopentyl-4-[(R)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7205379
1-cyclopentyl-4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 3210504
1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium
CID 7391651
4-[(S)-(4-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]thiomorpholin-4-ium
CID 7390819
1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
CID 7397433
1-[(R)-[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidin-1-ium-4-ol
CID 7390809
1-[(R)-(2-fluorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperidin-1-ium-4-carboxamide
CID 7397446

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium?
The IUPAC name of 1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium (CID 7397408) is 1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium.
What is the SMILES notation for 1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium?
The canonical SMILES for 1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium is Cc1ccc([C@H](c2nnnn2CCc2ccccc2)[NH+]2CC[NH+](C3CCCC3)CC2)cc1.
What is the InChIKey of 1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium?
The InChIKey is MJMKYGVKACMINZ-RUZDIDTESA-P. The full InChI is InChI=1S/C26H34N6/c1-21-11-13-23(14-12-21)25(31-19-17-30(18-20-31)24-9-5-6-10-24)26-27-28-29-32(26)16-15-22-7-3-2-4-8-22/h2-4,7-8,11-14,24-25H,5-6,9-10,15-20H2,1H3/p+2/t25-/m1/s1.
What are the key properties of 1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium?
1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium has a molecular weight of 432.62 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium is sourced from PubChem (CID 7397408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).