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

C24H25FN6OS — CID 1448460

IUPAC1-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2cccs2)CC1
InChIInChI=1S/C24H25FN6OS/c1-32-22-7-3-2-6-21(22)29-12-14-30(15-13-29)23(18-8-10-19(25)11-9-18)24-26-27-28-31(24)17-20-5-4-16-33-20/h2-11,16,23H,12-15,17H2,1H3/t23-/m0/s1
InChIKeyAASXXQFKAJGEIG-QHCPKHFHSA-N
MW464.57 g/mol
LogP3.84
Rot. Bonds7

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

1-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 1448460) has the molecular formula C24H25FN6OS and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID1448460
Molecular FormulaC24H25FN6OS
Molecular Weight464.57 g/mol
Exact Mass464.18
IUPAC Name1-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2cccs2)CC1
InChIInChI=1S/C24H25FN6OS/c1-32-22-7-3-2-6-21(22)29-12-14-30(15-13-29)23(18-8-10-19(25)11-9-18)24-26-27-28-31(24)17-20-5-4-16-33-20/h2-11,16,23H,12-15,17H2,1H3/t23-/m0/s1
InChIKeyAASXXQFKAJGEIG-QHCPKHFHSA-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

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

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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
4-{[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-morpholine
CID 651994
1-[(3,4-Dimethoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-4-(4-fluoro-phenyl)-piperazine
CID 656108
{4-[[4-(2-Methoxy-phenyl)-piperazin-1-yl]-(1-phenethyl-1H-tetrazol-5-yl)-methyl]-phenyl}-dimethyl-amine
CID 3210523
1-[1-(1-Benzyl-1H-tetrazol-5-yl)-butyl]-4-(2-methoxy-phenyl)-piperazine
CID 6603051
1-[(3,4-Dimethoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-4-(2-fluoro-phenyl)-piperazine
CID 6603165
1-(2-Methoxy-phenyl)-4-[(1-phenethyl-1H-tetrazol-5-yl)-phenyl-methyl]-piperazine
CID 9549369
1-[(1-Butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine
CID 53300960
1-[(4-Fluoro-phenyl)-(1-isopropyl-1H-tetrazol-5-yl)-methyl]-4-(2-methoxy-phenyl)-piperazine
CID 648618
1-(2-Fluoro-phenyl)-4-[(4-methoxy-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 649190

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine (CID 1448460) is 1-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN([C@@H](c2ccc(F)cc2)c2nnnn2Cc2cccs2)CC1.
What is the InChIKey of 1-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is AASXXQFKAJGEIG-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25FN6OS/c1-32-22-7-3-2-6-21(22)29-12-14-30(15-13-29)23(18-8-10-19(25)11-9-18)24-26-27-28-31(24)17-20-5-4-16-33-20/h2-11,16,23H,12-15,17H2,1H3/t23-/m0/s1.
What are the key properties of 1-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)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-[(S)-(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 1448460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).