1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium

C19H32N6O2+2 — CID 7383115

IUPAC1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium
SMILESCOc1ccc([C@H](c2nnnn2C(C)(C)C)[NH+]2CC[NH+](C)CC2)c(OC)c1
InChIInChI=1S/C19H30N6O2/c1-19(2,3)25-18(20-21-22-25)17(24-11-9-23(4)10-12-24)15-8-7-14(26-5)13-16(15)27-6/h7-8,13,17H,9-12H2,1-6H3/p+2/t17-/m1/s1
InChIKeyXVHXTHPCGNLLHG-QGZVFWFLSA-P
MW376.51 g/mol
LogP-1.05
Rot. Bonds5

About 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium

1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium (PubChem CID 7383115) has the molecular formula C19H32N6O2+2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium.

Molecular Properties

Compound Name1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium
PubChem CID7383115
Molecular FormulaC19H32N6O2+2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium
SMILESCOc1ccc([C@H](c2nnnn2C(C)(C)C)[NH+]2CC[NH+](C)CC2)c(OC)c1
InChIInChI=1S/C19H30N6O2/c1-19(2,3)25-18(20-21-22-25)17(24-11-9-23(4)10-12-24)15-8-7-14(26-5)13-16(15)27-6/h7-8,13,17H,9-12H2,1-6H3/p+2/t17-/m1/s1
InChIKeyXVHXTHPCGNLLHG-QGZVFWFLSA-P
XLogP-1.05
TPSA70.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(R)-(1-tert-butyltetrazol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium
CID 7221433
1-[(S)-(4-methoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
CID 7383078
1-[(R)-(4-methoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
CID 7383077
1-[(R)-(3,4-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
CID 7383103
1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazin-1-ium
CID 7384148
1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1444056
1-[(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171700127
1-[(S)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 1444054
1-[(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 3208971
1-cyclopentyl-4-[(S)-(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7391665
1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-cyclohexylpiperazine
CID 1444040
1-[(R)-(1-benzyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6986067

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium?
The IUPAC name of 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium (CID 7383115) is 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium.
What is the SMILES notation for 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium?
The canonical SMILES for 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium is COc1ccc([C@H](c2nnnn2C(C)(C)C)[NH+]2CC[NH+](C)CC2)c(OC)c1.
What is the InChIKey of 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium?
The InChIKey is XVHXTHPCGNLLHG-QGZVFWFLSA-P. The full InChI is InChI=1S/C19H30N6O2/c1-19(2,3)25-18(20-21-22-25)17(24-11-9-23(4)10-12-24)15-8-7-14(26-5)13-16(15)27-6/h7-8,13,17H,9-12H2,1-6H3/p+2/t17-/m1/s1.
What are the key properties of 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium?
1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium has a molecular weight of 376.51 g/mol, XLogP of -1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium is sourced from PubChem (CID 7383115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).