1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

C23H27F3N6O2 — CID 3209324

IUPAC1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCOCCn1nnnc1C(c1ccc(OC)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H27F3N6O2/c1-33-15-14-32-22(27-28-29-32)21(17-6-8-20(34-2)9-7-17)31-12-10-30(11-13-31)19-5-3-4-18(16-19)23(24,25)26/h3-9,16,21H,10-15H2,1-2H3
InChIKeyYTMNNOFPAWVCEZ-UHFFFAOYSA-N
MW476.50 g/mol
LogP3.26
Rot. Bonds8

About 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 3209324) has the molecular formula C23H27F3N6O2 and a molecular weight of 476.50 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID3209324
Molecular FormulaC23H27F3N6O2
Molecular Weight476.50 g/mol
Exact Mass476.21
IUPAC Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCOCCn1nnnc1C(c1ccc(OC)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H27F3N6O2/c1-33-15-14-32-22(27-28-29-32)21(17-6-8-20(34-2)9-7-17)31-12-10-30(11-13-31)19-5-3-4-18(16-19)23(24,25)26/h3-9,16,21H,10-15H2,1-2H3
InChIKeyYTMNNOFPAWVCEZ-UHFFFAOYSA-N
XLogP3.26
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CID 3209324) is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is COCCn1nnnc1C(c1ccc(OC)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is YTMNNOFPAWVCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N6O2/c1-33-15-14-32-22(27-28-29-32)21(17-6-8-20(34-2)9-7-17)31-12-10-30(11-13-31)19-5-3-4-18(16-19)23(24,25)26/h3-9,16,21H,10-15H2,1-2H3.
What are the key properties of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 476.50 g/mol, XLogP of 3.26, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 3209324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).