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

C27H30N6O — CID 656175

IUPAC1-[(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
SMILESCOc1ccccc1C(c1nnnn1CCc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C27H30N6O/c1-34-25-15-9-8-14-24(25)26(32-20-18-31(19-21-32)23-12-6-3-7-13-23)27-28-29-30-33(27)17-16-22-10-4-2-5-11-22/h2-15,26H,16-21H2,1H3
InChIKeyQITXFIQUENDJAS-UHFFFAOYSA-N
MW454.58 g/mol
LogP3.84
Rot. Bonds8

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

1-[(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine (PubChem CID 656175) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
PubChem CID656175
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC Name1-[(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
SMILESCOc1ccccc1C(c1nnnn1CCc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C27H30N6O/c1-34-25-15-9-8-14-24(25)26(32-20-18-31(19-21-32)23-12-6-3-7-13-23)27-28-29-30-33(27)17-16-22-10-4-2-5-11-22/h2-15,26H,16-21H2,1H3
InChIKeyQITXFIQUENDJAS-UHFFFAOYSA-N
XLogP3.84
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine (CID 656175) is 1-[(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine is COc1ccccc1C(c1nnnn1CCc1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
The InChIKey is QITXFIQUENDJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c1-34-25-15-9-8-14-24(25)26(32-20-18-31(19-21-32)23-12-6-3-7-13-23)27-28-29-30-33(27)17-16-22-10-4-2-5-11-22/h2-15,26H,16-21H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
1-[(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine has a molecular weight of 454.58 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 656175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).