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

C22H28N6O — CID 3201711

IUPAC1-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine
SMILESCOc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C22H28N6O/c1-26-14-16-27(17-15-26)21(19-8-10-20(29-2)11-9-19)22-23-24-25-28(22)13-12-18-6-4-3-5-7-18/h3-11,21H,12-17H2,1-2H3
InChIKeyYVTNSWINDCLZII-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.26
Rot. Bonds7

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

1-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine (PubChem CID 3201711) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine
PubChem CID3201711
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name1-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine
SMILESCOc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C22H28N6O/c1-26-14-16-27(17-15-26)21(19-8-10-20(29-2)11-9-19)22-23-24-25-28(22)13-12-18-6-4-3-5-7-18/h3-11,21H,12-17H2,1-2H3
InChIKeyYVTNSWINDCLZII-UHFFFAOYSA-N
XLogP2.26
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine (CID 3201711) is 1-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine is COc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine?
The InChIKey is YVTNSWINDCLZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-26-14-16-27(17-15-26)21(19-8-10-20(29-2)11-9-19)22-23-24-25-28(22)13-12-18-6-4-3-5-7-18/h3-11,21H,12-17H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine?
1-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine has a molecular weight of 392.51 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 3201711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).