1-(4-methoxyphenyl)-4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine

C24H32N6O — CID 647343

IUPAC1-(4-methoxyphenyl)-4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
SMILESCOc1ccc(N2CCN(C(c3nnnn3CCc3ccccc3)C(C)C)CC2)cc1
InChIInChI=1S/C24H32N6O/c1-19(2)23(24-25-26-27-30(24)14-13-20-7-5-4-6-8-20)29-17-15-28(16-18-29)21-9-11-22(31-3)12-10-21/h4-12,19,23H,13-18H2,1-3H3
InChIKeyOYLYCFUSDUNROE-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.44
Rot. Bonds8

About 1-(4-methoxyphenyl)-4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine

1-(4-methoxyphenyl)-4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine (PubChem CID 647343) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
PubChem CID647343
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name1-(4-methoxyphenyl)-4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
SMILESCOc1ccc(N2CCN(C(c3nnnn3CCc3ccccc3)C(C)C)CC2)cc1
InChIInChI=1S/C24H32N6O/c1-19(2)23(24-25-26-27-30(24)14-13-20-7-5-4-6-8-20)29-17-15-28(16-18-29)21-9-11-22(31-3)12-10-21/h4-12,19,23H,13-18H2,1-3H3
InChIKeyOYLYCFUSDUNROE-UHFFFAOYSA-N
XLogP3.44
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine (CID 647343) is 1-(4-methoxyphenyl)-4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine is COc1ccc(N2CCN(C(c3nnnn3CCc3ccccc3)C(C)C)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine?
The InChIKey is OYLYCFUSDUNROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-19(2)23(24-25-26-27-30(24)14-13-20-7-5-4-6-8-20)29-17-15-28(16-18-29)21-9-11-22(31-3)12-10-21/h4-12,19,23H,13-18H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine?
1-(4-methoxyphenyl)-4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine has a molecular weight of 420.56 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine is sourced from PubChem (CID 647343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).