4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol

C18H28N6O — CID 43811951

IUPAC4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
SMILESCCC(C)(C)n1nnnc1C(c1ccc(O)cc1)N1CCN(C)CC1
InChIInChI=1S/C18H28N6O/c1-5-18(2,3)24-17(19-20-21-24)16(14-6-8-15(25)9-7-14)23-12-10-22(4)11-13-23/h6-9,16,25H,5,10-13H2,1-4H3
InChIKeyVJEQYUXRZLMNHK-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.86
Rot. Bonds5

About 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol

4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol (PubChem CID 43811951) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
PubChem CID43811951
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol
SMILESCCC(C)(C)n1nnnc1C(c1ccc(O)cc1)N1CCN(C)CC1
InChIInChI=1S/C18H28N6O/c1-5-18(2,3)24-17(19-20-21-24)16(14-6-8-15(25)9-7-14)23-12-10-22(4)11-13-23/h6-9,16,25H,5,10-13H2,1-4H3
InChIKeyVJEQYUXRZLMNHK-UHFFFAOYSA-N
XLogP1.86
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol (CID 43811951) is 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol is CCC(C)(C)n1nnnc1C(c1ccc(O)cc1)N1CCN(C)CC1.
What is the InChIKey of 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol?
The InChIKey is VJEQYUXRZLMNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-5-18(2,3)24-17(19-20-21-24)16(14-6-8-15(25)9-7-14)23-12-10-22(4)11-13-23/h6-9,16,25H,5,10-13H2,1-4H3.
What are the key properties of 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol?
4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol has a molecular weight of 344.46 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 43811951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).