1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-phenylpiperazine

C20H26N6S — CID 3193612

IUPAC1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-phenylpiperazine
SMILESCC(C)(C)n1nnnc1C(c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26N6S/c1-20(2,3)26-19(21-22-23-26)18(17-10-7-15-27-17)25-13-11-24(12-14-25)16-8-5-4-6-9-16/h4-10,15,18H,11-14H2,1-3H3
InChIKeyKIGSLOJQJSVDPJ-UHFFFAOYSA-N
MW382.54 g/mol
LogP3.40
Rot. Bonds4

About 1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-phenylpiperazine

1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-phenylpiperazine (PubChem CID 3193612) has the molecular formula C20H26N6S and a molecular weight of 382.54 g/mol. Its IUPAC name is 1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-phenylpiperazine
PubChem CID3193612
Molecular FormulaC20H26N6S
Molecular Weight382.54 g/mol
Exact Mass382.19
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-phenylpiperazine
SMILESCC(C)(C)n1nnnc1C(c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26N6S/c1-20(2,3)26-19(21-22-23-26)18(17-10-7-15-27-17)25-13-11-24(12-14-25)16-8-5-4-6-9-16/h4-10,15,18H,11-14H2,1-3H3
InChIKeyKIGSLOJQJSVDPJ-UHFFFAOYSA-N
XLogP3.40
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.54
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-(4-Fluorophenyl)-4-[[1-(2-phenylethyl)-5-tetrazolyl]-thiophen-2-ylmethyl]piperazine
CID 649400
1-{[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-4-(3-trifluoromethyl-phenyl)-piperazine
CID 3193436
1-(2-Fluoro-phenyl)-4-[(1-phenethyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-piperazine
CID 6603087
1-[[1-(2-Methylbutan-2-yl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperidine
CID 3193549
1-{[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-4-phenyl-piperazine
CID 646797
1-[(1-tert-butyl-5-tetrazolyl)-thiophen-2-ylmethyl]-3,4-dihydro-2H-quinoline
CID 648445
1-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-2,3-dihydro-1H-indole
CID 653829
1-Benzyl-4-{[1-(1,1-dimethyl-propyl)-1H-tetrazol-5-yl]-thiophen-2-yl-methyl}-piperazine
CID 654645

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-phenylpiperazine?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-phenylpiperazine (CID 3193612) is 1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-phenylpiperazine is CC(C)(C)n1nnnc1C(c1cccs1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-phenylpiperazine?
The InChIKey is KIGSLOJQJSVDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6S/c1-20(2,3)26-19(21-22-23-26)18(17-10-7-15-27-17)25-13-11-24(12-14-25)16-8-5-4-6-9-16/h4-10,15,18H,11-14H2,1-3H3.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-phenylpiperazine?
1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-phenylpiperazine has a molecular weight of 382.54 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-phenylpiperazine is sourced from PubChem (CID 3193612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).