1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium

C20H32FN6+ — CID 7384242

IUPAC1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium
SMILESCCC[C@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H31FN6/c1-5-9-18(19-22-23-24-27(19)20(3,4)6-2)26-14-12-25(13-15-26)17-11-8-7-10-16(17)21/h7-8,10-11,18H,5-6,9,12-15H2,1-4H3/p+1/t18-/m1/s1
InChIKeySVKAQYVXKWBOLA-GOSISDBHSA-O
MW375.52 g/mol
LogP2.20
Rot. Bonds7

About 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium

1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium (PubChem CID 7384242) has the molecular formula C20H32FN6+ and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium
PubChem CID7384242
Molecular FormulaC20H32FN6+
Molecular Weight375.52 g/mol
Exact Mass375.27
IUPAC Name1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium
SMILESCCC[C@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H31FN6/c1-5-9-18(19-22-23-24-27(19)20(3,4)6-2)26-14-12-25(13-15-26)17-11-8-7-10-16(17)21/h7-8,10-11,18H,5-6,9,12-15H2,1-4H3/p+1/t18-/m1/s1
InChIKeySVKAQYVXKWBOLA-GOSISDBHSA-O
XLogP2.20
TPSA51.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium with MolForge

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Related Compounds

1-[(1R)-1-(1-tert-butyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 7384018
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 7383939
1-(2-fluorophenyl)-4-[(S)-(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazin-4-ium
CID 7388066
1-(2-fluorophenyl)-4-[(R)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylphenyl)methyl]piperazin-4-ium
CID 7387964
1-[(1S)-1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 7384038
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-fluorophenyl)piperazin-1-ium
CID 6985994
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium
CID 7383966
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 857913
3-[(S)-[4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1159061
3-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 1159060
1-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]-4-phenylpiperazine
CID 1444307
3-[(S)-[4-(2-fluorophenyl)piperazin-1-yl]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 1160712

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium?
The IUPAC name of 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium (CID 7384242) is 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium is CCC[C@H](c1nnnn1C(C)(C)CC)[NH+]1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium?
The InChIKey is SVKAQYVXKWBOLA-GOSISDBHSA-O. The full InChI is InChI=1S/C20H31FN6/c1-5-9-18(19-22-23-24-27(19)20(3,4)6-2)26-14-12-25(13-15-26)17-11-8-7-10-16(17)21/h7-8,10-11,18H,5-6,9,12-15H2,1-4H3/p+1/t18-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium?
1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium has a molecular weight of 375.52 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium is sourced from PubChem (CID 7384242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).