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

C21H34N6S — CID 5009676

IUPAC1-cyclohexyl-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine
SMILESCCCCC(c1nnnn1Cc1cccs1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H34N6S/c1-2-3-11-20(21-22-23-24-27(21)17-19-10-7-16-28-19)26-14-12-25(13-15-26)18-8-5-4-6-9-18/h7,10,16,18,20H,2-6,8-9,11-15,17H2,1H3
InChIKeyMGPYLISHYSGRLI-UHFFFAOYSA-N
MW402.61 g/mol
LogP3.96
Rot. Bonds8

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

1-cyclohexyl-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine (PubChem CID 5009676) has the molecular formula C21H34N6S and a molecular weight of 402.61 g/mol. Its IUPAC name is 1-cyclohexyl-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine
PubChem CID5009676
Molecular FormulaC21H34N6S
Molecular Weight402.61 g/mol
Exact Mass402.26
IUPAC Name1-cyclohexyl-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine
SMILESCCCCC(c1nnnn1Cc1cccs1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H34N6S/c1-2-3-11-20(21-22-23-24-27(21)17-19-10-7-16-28-19)26-14-12-25(13-15-26)18-8-5-4-6-9-18/h7,10,16,18,20H,2-6,8-9,11-15,17H2,1H3
InChIKeyMGPYLISHYSGRLI-UHFFFAOYSA-N
XLogP3.96
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.61
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclohexyl-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 3210251
1-cyclopentyl-4-[(1S)-1-[1-(2-phenylethyl)tetrazol-5-yl]pentyl]piperazine
CID 7397380
1-(2-fluorophenyl)-4-[(1S)-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine
CID 7389586
1-[(S)-(4-chlorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine
CID 1448484
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)pentyl]-4-cyclopentylpiperazine
CID 7383612
1-cyclopentyl-4-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine
CID 7391504
1-cyclohexyl-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine
CID 5011336
1-cyclopentyl-4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]pentyl]piperazine
CID 3209073
1-(2,3-dimethylphenyl)-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 43812373
1-cyclohexyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 1446720
1-[(1S)-3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]-4-phenylpiperazine
CID 1447737
1-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
CID 3210263

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine (CID 5009676) is 1-cyclohexyl-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine is CCCCC(c1nnnn1Cc1cccs1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine?
The InChIKey is MGPYLISHYSGRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6S/c1-2-3-11-20(21-22-23-24-27(21)17-19-10-7-16-28-19)26-14-12-25(13-15-26)18-8-5-4-6-9-18/h7,10,16,18,20H,2-6,8-9,11-15,17H2,1H3.
What are the key properties of 1-cyclohexyl-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine?
1-cyclohexyl-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine has a molecular weight of 402.61 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine is sourced from PubChem (CID 5009676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).