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

C23H29FN6S — CID 650502

IUPAC1-cyclohexyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESFc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C23H29FN6S/c24-19-10-8-18(9-11-19)22(23-25-26-27-30(23)17-21-7-4-16-31-21)29-14-12-28(13-15-29)20-5-2-1-3-6-20/h4,7-11,16,20,22H,1-3,5-6,12-15,17H2
InChIKeyTVTTUIXLOHKOCR-UHFFFAOYSA-N
MW440.59 g/mol
LogP3.96
Rot. Bonds6

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

1-cyclohexyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 650502) has the molecular formula C23H29FN6S and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID650502
Molecular FormulaC23H29FN6S
Molecular Weight440.59 g/mol
Exact Mass440.22
IUPAC Name1-cyclohexyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESFc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C23H29FN6S/c24-19-10-8-18(9-11-19)22(23-25-26-27-30(23)17-21-7-4-16-31-21)29-14-12-28(13-15-29)20-5-2-1-3-6-20/h4,7-11,16,20,22H,1-3,5-6,12-15,17H2
InChIKeyTVTTUIXLOHKOCR-UHFFFAOYSA-N
XLogP3.96
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.96
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-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
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-cyclohexyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (CID 650502) is 1-cyclohexyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is Fc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is TVTTUIXLOHKOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6S/c24-19-10-8-18(9-11-19)22(23-25-26-27-30(23)17-21-7-4-16-31-21)29-14-12-28(13-15-29)20-5-2-1-3-6-20/h4,7-11,16,20,22H,1-3,5-6,12-15,17H2.
What are the key properties of 1-cyclohexyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
1-cyclohexyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 440.59 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(4-fluorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 650502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).