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

C22H28ClFN6S — CID 6602655

IUPAC1-cyclopentyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C22H27FN6S.ClH/c23-18-9-7-17(8-10-18)21(22-24-25-26-29(22)16-20-6-3-15-30-20)28-13-11-27(12-14-28)19-4-1-2-5-19;/h3,6-10,15,19,21H,1-2,4-5,11-14,16H2;1H
InChIKeyLEYRMFSYZSPFLK-UHFFFAOYSA-N
MW463.03 g/mol
LogP3.99
Rot. Bonds6

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

1-cyclopentyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride (PubChem CID 6602655) has the molecular formula C22H28ClFN6S and a molecular weight of 463.03 g/mol. Its IUPAC name is 1-cyclopentyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
PubChem CID6602655
Molecular FormulaC22H28ClFN6S
Molecular Weight463.03 g/mol
Exact Mass462.18
IUPAC Name1-cyclopentyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C22H27FN6S.ClH/c23-18-9-7-17(8-10-18)21(22-24-25-26-29(22)16-20-6-3-15-30-20)28-13-11-27(12-14-28)19-4-1-2-5-19;/h3,6-10,15,19,21H,1-2,4-5,11-14,16H2;1H
InChIKeyLEYRMFSYZSPFLK-UHFFFAOYSA-N
XLogP3.99
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.03
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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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-[(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
4-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-thiomorpholine
CID 654208

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-cyclopentyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride (CID 6602655) is 1-cyclopentyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-cyclopentyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride is Cl.Fc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of 1-cyclopentyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
The InChIKey is LEYRMFSYZSPFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6S.ClH/c23-18-9-7-17(8-10-18)21(22-24-25-26-29(22)16-20-6-3-15-30-20)28-13-11-27(12-14-28)19-4-1-2-5-19;/h3,6-10,15,19,21H,1-2,4-5,11-14,16H2;1H.
What are the key properties of 1-cyclopentyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride?
1-cyclopentyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride has a molecular weight of 463.03 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 6602655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).