1-[(1R)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium

C20H33N6O+ — CID 7383966

IUPAC1-[(1R)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium
SMILESCCC[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C20H32N6O/c1-6-9-17(19-21-22-23-26(19)20(2,3)4)25-14-12-24(13-15-25)16-10-7-8-11-18(16)27-5/h7-8,10-11,17H,6,9,12-15H2,1-5H3/p+1/t17-/m1/s1
InChIKeyRISFZNWQOCYRGB-QGZVFWFLSA-O
MW373.53 g/mol
LogP1.68
Rot. Bonds6

About 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium

1-[(1R)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium (PubChem CID 7383966) has the molecular formula C20H33N6O+ and a molecular weight of 373.53 g/mol. Its IUPAC name is 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium.

Molecular Properties

Compound Name1-[(1R)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium
PubChem CID7383966
Molecular FormulaC20H33N6O+
Molecular Weight373.53 g/mol
Exact Mass373.27
IUPAC Name1-[(1R)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium
SMILESCCC[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C20H32N6O/c1-6-9-17(19-21-22-23-26(19)20(2,3)4)25-14-12-24(13-15-25)16-10-7-8-11-18(16)27-5/h7-8,10-11,17H,6,9,12-15H2,1-5H3/p+1/t17-/m1/s1
InChIKeyRISFZNWQOCYRGB-QGZVFWFLSA-O
XLogP1.68
TPSA60.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1R)-1-(1-tert-butyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 7384018
1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium
CID 7384242
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 7383939
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 7384038
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-2-methylpropyl]-4-(2-methoxyphenyl)piperazine
CID 1443747
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7383943
1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-(2-methoxyphenyl)piperazine
CID 3193621
1-[(R)-(1-tert-butyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-(4-fluorophenyl)piperazin-1-ium
CID 7384148
1-(2-methoxyphenyl)-4-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazin-4-ium
CID 7388727
1-(2-methoxyphenyl)-4-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazin-4-ium
CID 7388733
1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1444056
1-(2,3-dimethylphenyl)-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazin-4-ium
CID 7388167

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium?
The IUPAC name of 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium (CID 7383966) is 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium.
What is the SMILES notation for 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium?
The canonical SMILES for 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium is CCC[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium?
The InChIKey is RISFZNWQOCYRGB-QGZVFWFLSA-O. The full InChI is InChI=1S/C20H32N6O/c1-6-9-17(19-21-22-23-26(19)20(2,3)4)25-14-12-24(13-15-25)16-10-7-8-11-18(16)27-5/h7-8,10-11,17H,6,9,12-15H2,1-5H3/p+1/t17-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium?
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium has a molecular weight of 373.53 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium is sourced from PubChem (CID 7383966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).