1-[(R)-(2-methoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium

C19H32N6O+2 — CID 7397256

IUPAC1-[(R)-(2-methoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
SMILESCOc1ccccc1[C@H](c1nnnn1CCC(C)C)[NH+]1CC[NH+](C)CC1
InChIInChI=1S/C19H30N6O/c1-15(2)9-10-25-19(20-21-22-25)18(24-13-11-23(3)12-14-24)16-7-5-6-8-17(16)26-4/h5-8,15,18H,9-14H2,1-4H3/p+2/t18-/m1/s1
InChIKeyLZEBEDIXWQETDB-GOSISDBHSA-P
MW360.51 g/mol
LogP-0.77
Rot. Bonds7

About 1-[(R)-(2-methoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium

1-[(R)-(2-methoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium (PubChem CID 7397256) has the molecular formula C19H32N6O+2 and a molecular weight of 360.51 g/mol. Its IUPAC name is 1-[(R)-(2-methoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium.

Molecular Properties

Compound Name1-[(R)-(2-methoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
PubChem CID7397256
Molecular FormulaC19H32N6O+2
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name1-[(R)-(2-methoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
SMILESCOc1ccccc1[C@H](c1nnnn1CCC(C)C)[NH+]1CC[NH+](C)CC1
InChIInChI=1S/C19H30N6O/c1-15(2)9-10-25-19(20-21-22-25)18(24-13-11-23(3)12-14-24)16-7-5-6-8-17(16)26-4/h5-8,15,18H,9-14H2,1-4H3/p+2/t18-/m1/s1
InChIKeyLZEBEDIXWQETDB-GOSISDBHSA-P
XLogP-0.77
TPSA61.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(R)-(2-methoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium with MolForge

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Related Compounds

1-[(R)-(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
CID 7397433
1-[(R)-(4-fluorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium
CID 7397233
1-[(R)-(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium
CID 7396462
1-cyclopentyl-4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine-1,4-diium
CID 7391651
1-[(R)-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine-1,4-diium
CID 7397481
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7391655
1-[(S)-(1-benzyltetrazol-5-yl)-(3,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium
CID 7383091
1-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-prop-2-enylpiperazine-1,4-diium
CID 7383893
1-[(R)-(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-ethylpiperazine-1,4-diium
CID 7396452
1-methyl-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine-1,4-diium
CID 7383165
1-[(R)-(2-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine-1,4-diium
CID 7391705
1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium
CID 7383115

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-methoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium?
The IUPAC name of 1-[(R)-(2-methoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium (CID 7397256) is 1-[(R)-(2-methoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium.
What is the SMILES notation for 1-[(R)-(2-methoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium?
The canonical SMILES for 1-[(R)-(2-methoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium is COc1ccccc1[C@H](c1nnnn1CCC(C)C)[NH+]1CC[NH+](C)CC1.
What is the InChIKey of 1-[(R)-(2-methoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium?
The InChIKey is LZEBEDIXWQETDB-GOSISDBHSA-P. The full InChI is InChI=1S/C19H30N6O/c1-15(2)9-10-25-19(20-21-22-25)18(24-13-11-23(3)12-14-24)16-7-5-6-8-17(16)26-4/h5-8,15,18H,9-14H2,1-4H3/p+2/t18-/m1/s1.
What are the key properties of 1-[(R)-(2-methoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium?
1-[(R)-(2-methoxyphenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium has a molecular weight of 360.51 g/mol, XLogP of -0.77, 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-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine-1,4-diium is sourced from PubChem (CID 7397256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).