1-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-(2-fluorophenyl)piperazine

C20H23FN6O2 — CID 9266886

IUPAC1-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-(2-fluorophenyl)piperazine
SMILESCOc1ccc(-c2nnn(CN3CCN(c4ccccc4F)CC3)n2)cc1OC
InChIInChI=1S/C20H23FN6O2/c1-28-18-8-7-15(13-19(18)29-2)20-22-24-27(23-20)14-25-9-11-26(12-10-25)17-6-4-3-5-16(17)21/h3-8,13H,9-12,14H2,1-2H3
InChIKeyHGGYUBADFXIZSI-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.28
Rot. Bonds6

About 1-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-(2-fluorophenyl)piperazine

1-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-(2-fluorophenyl)piperazine (PubChem CID 9266886) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-(2-fluorophenyl)piperazine
PubChem CID9266886
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC Name1-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-(2-fluorophenyl)piperazine
SMILESCOc1ccc(-c2nnn(CN3CCN(c4ccccc4F)CC3)n2)cc1OC
InChIInChI=1S/C20H23FN6O2/c1-28-18-8-7-15(13-19(18)29-2)20-22-24-27(23-20)14-25-9-11-26(12-10-25)17-6-4-3-5-16(17)21/h3-8,13H,9-12,14H2,1-2H3
InChIKeyHGGYUBADFXIZSI-UHFFFAOYSA-N
XLogP2.28
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone
CID 17494005
(3,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanethione
CID 3706873
5-(3,4-dimethoxyphenyl)-2-[(2-phenoxyphenyl)methyl]tetrazole
CID 7467433
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethoxybenzenesulfonamide
CID 42388939
CID 59526706
CID 59526706
1-(2-fluorophenyl)-4-[(4-methoxy-3-nitrophenyl)methyl]piperazine
CID 87012524
1-(2-fluorophenyl)-4-[(2-methoxy-5-nitrophenyl)methyl]piperazine
CID 31628269
5-(3,4-dimethoxyphenyl)-2-[2-(2-methylphenoxy)ethyl]tetrazole
CID 52615802
2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 71683147
2-[4-(2-fluorophenyl)piperazin-1-yl]-4,7-dimethoxy-1,3-benzothiazole
CID 121081717
2-[(2-bromo-4-fluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)tetrazole
CID 55499439
5-chloro-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methoxybenzamide
CID 42224226

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-(2-fluorophenyl)piperazine (CID 9266886) is 1-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-(2-fluorophenyl)piperazine is COc1ccc(-c2nnn(CN3CCN(c4ccccc4F)CC3)n2)cc1OC.
What is the InChIKey of 1-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is HGGYUBADFXIZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-28-18-8-7-15(13-19(18)29-2)20-22-24-27(23-20)14-25-9-11-26(12-10-25)17-6-4-3-5-16(17)21/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-(2-fluorophenyl)piperazine?
1-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 398.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]methyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 9266886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).