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

C24H25FN6OS — CID 649190

IUPAC1-(2-fluorophenyl)-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESCOc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C24H25FN6OS/c1-32-19-10-8-18(9-11-19)23(24-26-27-28-31(24)17-20-5-4-16-33-20)30-14-12-29(13-15-30)22-7-3-2-6-21(22)25/h2-11,16,23H,12-15,17H2,1H3
InChIKeyYXLQSOVWTVXWET-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.84
Rot. Bonds7

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

1-(2-fluorophenyl)-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 649190) has the molecular formula C24H25FN6OS and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID649190
Molecular FormulaC24H25FN6OS
Molecular Weight464.57 g/mol
Exact Mass464.18
IUPAC Name1-(2-fluorophenyl)-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESCOc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C24H25FN6OS/c1-32-19-10-8-18(9-11-19)23(24-26-27-28-31(24)17-20-5-4-16-33-20)30-14-12-29(13-15-30)22-7-3-2-6-21(22)25/h2-11,16,23H,12-15,17H2,1H3
InChIKeyYXLQSOVWTVXWET-UHFFFAOYSA-N
XLogP3.84
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-4-(4-methoxy-phenyl)-piperazine
CID 646150
1-(4-Methoxy-phenyl)-4-[1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 647108
1-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-4-phenyl-piperazine
CID 649016
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-phenyl-piperazine
CID 651378
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-(2-fluoro-phenyl)-piperazine
CID 651386
4-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-morpholine
CID 651994
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-3-methyl-butyl}-4-phenyl-piperazine
CID 654297
1-[(3,4-Dimethoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-4-(4-fluoro-phenyl)-piperazine
CID 656108
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-phenyl-piperazine
CID 3208764
1-[(3,4-Dimethoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-4-(2-fluoro-phenyl)-piperazine
CID 6603165
1-[[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-(4-methoxy-phenyl)-methyl]-4-(4-methoxy-phenyl)-piperazine
CID 646652
1-[[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-(4-methoxy-phenyl)-methyl]-4-phenyl-piperazine
CID 647579

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (CID 649190) is 1-(2-fluorophenyl)-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is COc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is YXLQSOVWTVXWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6OS/c1-32-19-10-8-18(9-11-19)23(24-26-27-28-31(24)17-20-5-4-16-33-20)30-14-12-29(13-15-30)22-7-3-2-6-21(22)25/h2-11,16,23H,12-15,17H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
1-(2-fluorophenyl)-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 464.57 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[(4-methoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 649190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).