1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride

C24H26ClFN6S — CID 6603087

IUPAC1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride
SMILESCl.Fc1ccccc1N1CCN(C(c2cccs2)c2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C24H25FN6S.ClH/c25-20-9-4-5-10-21(20)29-14-16-30(17-15-29)23(22-11-6-18-32-22)24-26-27-28-31(24)13-12-19-7-2-1-3-8-19;/h1-11,18,23H,12-17H2;1H
InChIKeyHXZXWGIXXOUMLC-UHFFFAOYSA-N
MW485.03 g/mol
LogP4.45
Rot. Bonds7

About 1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride

1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride (PubChem CID 6603087) has the molecular formula C24H26ClFN6S and a molecular weight of 485.03 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride
PubChem CID6603087
Molecular FormulaC24H26ClFN6S
Molecular Weight485.03 g/mol
Exact Mass484.16
IUPAC Name1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride
SMILESCl.Fc1ccccc1N1CCN(C(c2cccs2)c2nnnn2CCc2ccccc2)CC1
InChIInChI=1S/C24H25FN6S.ClH/c25-20-9-4-5-10-21(20)29-14-16-30(17-15-29)23(22-11-6-18-32-22)24-26-27-28-31(24)13-12-19-7-2-1-3-8-19;/h1-11,18,23H,12-17H2;1H
InChIKeyHXZXWGIXXOUMLC-UHFFFAOYSA-N
XLogP4.45
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride with MolForge

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Related Compounds

1-[(1-Tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-4-(2,3-dimethylphenyl)piperazine
CID 645264
1-[(4-Fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-4-phenyl-piperazine
CID 3210291
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-thiophen-2-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 11719753
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-4-(4-fluoro-phenyl)-piperazine
CID 646741
1-Ethyl-4-[(4-fluoro-phenyl)-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-methyl]-piperazine
CID 647074
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
N-[(1-cyclohexyl-5-tetrazolyl)-thiophen-2-ylmethyl]-N-(phenylmethyl)ethanamine
CID 654196
1-{[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-azepane
CID 654539
1-Cyclopentyl-4-[phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 655925
1-{[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-4-(3-trifluoromethyl-phenyl)-piperazine
CID 3193436

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride?
The IUPAC name of 1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride (CID 6603087) is 1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride?
The canonical SMILES for 1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride is Cl.Fc1ccccc1N1CCN(C(c2cccs2)c2nnnn2CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride?
The InChIKey is HXZXWGIXXOUMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6S.ClH/c25-20-9-4-5-10-21(20)29-14-16-30(17-15-29)23(22-11-6-18-32-22)24-26-27-28-31(24)13-12-19-7-2-1-3-8-19;/h1-11,18,23H,12-17H2;1H.
What are the key properties of 1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride?
1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride has a molecular weight of 485.03 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine;hydrochloride is sourced from PubChem (CID 6603087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).