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

C19H23FN6S — CID 647074

IUPAC1-ethyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESCCN1CCN(C(c2ccc(F)cc2)c2nnnn2Cc2cccs2)CC1
InChIInChI=1S/C19H23FN6S/c1-2-24-9-11-25(12-10-24)18(15-5-7-16(20)8-6-15)19-21-22-23-26(19)14-17-4-3-13-27-17/h3-8,13,18H,2,9-12,14H2,1H3
InChIKeyBGAZRVSACKQUFI-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.65
Rot. Bonds6

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

1-ethyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 647074) has the molecular formula C19H23FN6S and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-ethyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID647074
Molecular FormulaC19H23FN6S
Molecular Weight386.50 g/mol
Exact Mass386.17
IUPAC Name1-ethyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESCCN1CCN(C(c2ccc(F)cc2)c2nnnn2Cc2cccs2)CC1
InChIInChI=1S/C19H23FN6S/c1-2-24-9-11-25(12-10-24)18(15-5-7-16(20)8-6-15)19-21-22-23-26(19)14-17-4-3-13-27-17/h3-8,13,18H,2,9-12,14H2,1H3
InChIKeyBGAZRVSACKQUFI-UHFFFAOYSA-N
XLogP2.65
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1H-Tetrazole, 1-benzyl-5-(2-thienyl)-
CID 561448
Benzyl-[1-(1-tert-butyl-1H-tetrazol-5-yl)-2-methyl-propyl]-thiophen-2-ylmethyl-amine
CID 648935
1-[(4-Fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-4-phenyl-piperazine
CID 3210291
4-[(1-Phenethyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-morpholine
CID 644519
4-[(1-Benzyl-1H-tetrazol-5-yl)-(4-fluoro-phenyl)-methyl]-thiomorpholine
CID 645972
1-(4-Fluorophenyl)-4-[[1-(2-phenylethyl)-5-tetrazolyl]-thiophen-2-ylmethyl]piperazine
CID 649400
1-Cyclohexyl-4-[(4-fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 650502
4-Benzyl-1-[(1-cyclopentyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperidine
CID 651241
4-[1-(1-Benzyl-1H-tetrazol-5-yl)-2-methyl-propyl]-thiomorpholine
CID 652611
N-[(1-cyclohexyl-5-tetrazolyl)-thiophen-2-ylmethyl]-N-(phenylmethyl)ethanamine
CID 654196
4-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-thiomorpholine
CID 654208
1-{[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-azepane
CID 654539

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (CID 647074) is 1-ethyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is CCN1CCN(C(c2ccc(F)cc2)c2nnnn2Cc2cccs2)CC1.
What is the InChIKey of 1-ethyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is BGAZRVSACKQUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6S/c1-2-24-9-11-25(12-10-24)18(15-5-7-16(20)8-6-15)19-21-22-23-26(19)14-17-4-3-13-27-17/h3-8,13,18H,2,9-12,14H2,1H3.
What are the key properties of 1-ethyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
1-ethyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 386.50 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 647074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).