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

C23H32N6S — CID 3210255

IUPAC1-(2,5-dimethylphenyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
SMILESCc1ccc(C)c(N2CCN(C(CC(C)C)c3nnnn3Cc3cccs3)CC2)c1
InChIInChI=1S/C23H32N6S/c1-17(2)14-22(23-24-25-26-29(23)16-20-6-5-13-30-20)28-11-9-27(10-12-28)21-15-18(3)7-8-19(21)4/h5-8,13,15,17,22H,9-12,14,16H2,1-4H3
InChIKeyPWTXQUFIUUUVMI-UHFFFAOYSA-N
MW424.62 g/mol
LogP4.31
Rot. Bonds7

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

1-(2,5-dimethylphenyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine (PubChem CID 3210255) has the molecular formula C23H32N6S and a molecular weight of 424.62 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
PubChem CID3210255
Molecular FormulaC23H32N6S
Molecular Weight424.62 g/mol
Exact Mass424.24
IUPAC Name1-(2,5-dimethylphenyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
SMILESCc1ccc(C)c(N2CCN(C(CC(C)C)c3nnnn3Cc3cccs3)CC2)c1
InChIInChI=1S/C23H32N6S/c1-17(2)14-22(23-24-25-26-29(23)16-20-6-5-13-30-20)28-11-9-27(10-12-28)21-15-18(3)7-8-19(21)4/h5-8,13,15,17,22H,9-12,14,16H2,1-4H3
InChIKeyPWTXQUFIUUUVMI-UHFFFAOYSA-N
XLogP4.31
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.62
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-chloro-2-methylphenyl)-4-[(1S)-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
CID 1447634
1-[(1S)-3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]-4-phenylpiperazine
CID 1447737
1-(3-methoxyphenyl)-4-[(1S)-3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 1447732
1-[1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-(2,5-dimethylphenyl)piperazine
CID 3208878
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-(2,5-dimethylphenyl)piperazine
CID 1443772
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-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 3210251
1-(2,3-dimethylphenyl)-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 43812373
1-(5-chloro-2-methylphenyl)-4-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]-3-methylbutyl]piperazine
CID 3210060
1-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperidine-4-carboxamide
CID 3210263
1-(2,5-dimethylphenyl)-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 43812334
1-[(1S)-1-[1-(1,3-benzodioxol-5-ylmethyl)tetrazol-5-yl]-3-methylbutyl]-4-(5-chloro-2-methylphenyl)piperazine
CID 6557785

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine (CID 3210255) is 1-(2,5-dimethylphenyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine is Cc1ccc(C)c(N2CCN(C(CC(C)C)c3nnnn3Cc3cccs3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
The InChIKey is PWTXQUFIUUUVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6S/c1-17(2)14-22(23-24-25-26-29(23)16-20-6-5-13-30-20)28-11-9-27(10-12-28)21-15-18(3)7-8-19(21)4/h5-8,13,15,17,22H,9-12,14,16H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine?
1-(2,5-dimethylphenyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine has a molecular weight of 424.62 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-[3-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine is sourced from PubChem (CID 3210255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).