1-ethyl-4-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine

C19H29FN6 — CID 3209169

IUPAC1-ethyl-4-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
SMILESCCN1CCN(C(c2ccccc2F)c2nnnn2C(C)(C)CC)CC1
InChIInChI=1S/C19H29FN6/c1-5-19(3,4)26-18(21-22-23-26)17(15-9-7-8-10-16(15)20)25-13-11-24(6-2)12-14-25/h7-10,17H,5-6,11-14H2,1-4H3
InChIKeyUCWQSQAAYRWWLR-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.68
Rot. Bonds6

About 1-ethyl-4-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine

1-ethyl-4-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine (PubChem CID 3209169) has the molecular formula C19H29FN6 and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-ethyl-4-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
PubChem CID3209169
Molecular FormulaC19H29FN6
Molecular Weight360.48 g/mol
Exact Mass360.24
IUPAC Name1-ethyl-4-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
SMILESCCN1CCN(C(c2ccccc2F)c2nnnn2C(C)(C)CC)CC1
InChIInChI=1S/C19H29FN6/c1-5-19(3,4)26-18(21-22-23-26)17(15-9-7-8-10-16(15)20)25-13-11-24(6-2)12-14-25/h7-10,17H,5-6,11-14H2,1-4H3
InChIKeyUCWQSQAAYRWWLR-UHFFFAOYSA-N
XLogP2.68
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine (CID 3209169) is 1-ethyl-4-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine is CCN1CCN(C(c2ccccc2F)c2nnnn2C(C)(C)CC)CC1.
What is the InChIKey of 1-ethyl-4-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is UCWQSQAAYRWWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN6/c1-5-19(3,4)26-18(21-22-23-26)17(15-9-7-8-10-16(15)20)25-13-11-24(6-2)12-14-25/h7-10,17H,5-6,11-14H2,1-4H3.
What are the key properties of 1-ethyl-4-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine?
1-ethyl-4-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 360.48 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 3209169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).