1-cyclohexyl-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine

C21H34N6S — CID 3210251

IUPAC1-cyclohexyl-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
SMILESCC(C)CC(c1nnnn1Cc1cccs1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H34N6S/c1-17(2)15-20(21-22-23-24-27(21)16-19-9-6-14-28-19)26-12-10-25(11-13-26)18-7-4-3-5-8-18/h6,9,14,17-18,20H,3-5,7-8,10-13,15-16H2,1-2H3
InChIKeyOYNQIALRDYCSBI-UHFFFAOYSA-N
MW402.61 g/mol
LogP3.82
Rot. Bonds7

About 1-cyclohexyl-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine

1-cyclohexyl-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine (PubChem CID 3210251) has the molecular formula C21H34N6S and a molecular weight of 402.61 g/mol. Its IUPAC name is 1-cyclohexyl-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
PubChem CID3210251
Molecular FormulaC21H34N6S
Molecular Weight402.61 g/mol
Exact Mass402.26
IUPAC Name1-cyclohexyl-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
SMILESCC(C)CC(c1nnnn1Cc1cccs1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H34N6S/c1-17(2)15-20(21-22-23-24-27(21)16-19-9-6-14-28-19)26-12-10-25(11-13-26)18-7-4-3-5-8-18/h6,9,14,17-18,20H,3-5,7-8,10-13,15-16H2,1-2H3
InChIKeyOYNQIALRDYCSBI-UHFFFAOYSA-N
XLogP3.82
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.61
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclohexyl-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]pentyl]piperazine
CID 5009676
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
1-[(S)-(4-chlorophenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-cyclohexylpiperazine
CID 1448484
1-(2,5-dimethylphenyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 3210255
1-(3-methoxyphenyl)-4-[(1S)-3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 1447732
2-[4-[(1S)-3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazin-1-yl]-1,3-benzothiazole
CID 1447723
1-cyclohexyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 1446720
1-ethyl-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
CID 1447705
1-[(1R)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]-4-methylpiperazine
CID 1447111
1,4-bis[(S)-phenyl-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 98111414
1-cyclohexyl-4-[[1-(2-phenylethyl)tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
CID 3213458

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine (CID 3210251) is 1-cyclohexyl-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine is CC(C)CC(c1nnnn1Cc1cccs1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The InChIKey is OYNQIALRDYCSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N6S/c1-17(2)15-20(21-22-23-24-27(21)16-19-9-6-14-28-19)26-12-10-25(11-13-26)18-7-4-3-5-8-18/h6,9,14,17-18,20H,3-5,7-8,10-13,15-16H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
1-cyclohexyl-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine has a molecular weight of 402.61 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 3210251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).