1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-(3-methoxyphenyl)piperazin-1-ium

C18H29N6O2+ — CID 7388089

IUPAC1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-(3-methoxyphenyl)piperazin-1-ium
SMILESCC[C@H](c1nnnn1CCOC)[NH+]1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C18H28N6O2/c1-4-17(18-19-20-21-24(18)12-13-25-2)23-10-8-22(9-11-23)15-6-5-7-16(14-15)26-3/h5-7,14,17H,4,8-13H2,1-3H3/p+1/t17-/m1/s1
InChIKeyRFYOVKOKJRXJSR-QGZVFWFLSA-O
MW361.47 g/mol
LogP0.18
Rot. Bonds8

About 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-(3-methoxyphenyl)piperazin-1-ium

1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-(3-methoxyphenyl)piperazin-1-ium (PubChem CID 7388089) has the molecular formula C18H29N6O2+ and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-(3-methoxyphenyl)piperazin-1-ium.

Molecular Properties

Compound Name1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-(3-methoxyphenyl)piperazin-1-ium
PubChem CID7388089
Molecular FormulaC18H29N6O2+
Molecular Weight361.47 g/mol
Exact Mass361.23
IUPAC Name1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-(3-methoxyphenyl)piperazin-1-ium
SMILESCC[C@H](c1nnnn1CCOC)[NH+]1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C18H28N6O2/c1-4-17(18-19-20-21-24(18)12-13-25-2)23-10-8-22(9-11-23)15-6-5-7-16(14-15)26-3/h5-7,14,17H,4,8-13H2,1-3H3/p+1/t17-/m1/s1
InChIKeyRFYOVKOKJRXJSR-QGZVFWFLSA-O
XLogP0.18
TPSA69.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-(3-methoxyphenyl)piperazin-1-ium
CID 7098188
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-(3-methoxyphenyl)piperazin-1-ium
CID 7388353
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazin-1-ium
CID 7383704
1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]-4-(3-methoxyphenyl)piperazine
CID 7098187
1-(5-chloro-2-methylphenyl)-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]piperazin-4-ium
CID 7388093
1-[(S)-[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7388386
1-[(R)-(4-ethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium
CID 7388484
1-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7140828
1-(2,3-dimethylphenyl)-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazin-4-ium
CID 7388167
1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine-1,4-diium
CID 7391433
1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 6602667
1-[(1S)-1-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]propyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 6986145

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-(3-methoxyphenyl)piperazin-1-ium?
The IUPAC name of 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-(3-methoxyphenyl)piperazin-1-ium (CID 7388089) is 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-(3-methoxyphenyl)piperazin-1-ium.
What is the SMILES notation for 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-(3-methoxyphenyl)piperazin-1-ium?
The canonical SMILES for 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-(3-methoxyphenyl)piperazin-1-ium is CC[C@H](c1nnnn1CCOC)[NH+]1CCN(c2cccc(OC)c2)CC1.
What is the InChIKey of 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-(3-methoxyphenyl)piperazin-1-ium?
The InChIKey is RFYOVKOKJRXJSR-QGZVFWFLSA-O. The full InChI is InChI=1S/C18H28N6O2/c1-4-17(18-19-20-21-24(18)12-13-25-2)23-10-8-22(9-11-23)15-6-5-7-16(14-15)26-3/h5-7,14,17H,4,8-13H2,1-3H3/p+1/t17-/m1/s1.
What are the key properties of 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-(3-methoxyphenyl)piperazin-1-ium?
1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-(3-methoxyphenyl)piperazin-1-ium has a molecular weight of 361.47 g/mol, XLogP of 0.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-(3-methoxyphenyl)piperazin-1-ium is sourced from PubChem (CID 7388089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).