1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine

C21H26N6O — CID 3209270

IUPAC1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine
SMILESCOCCn1nnnc1C(c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26N6O/c1-28-17-16-27-21(22-23-24-27)20(18-8-4-2-5-9-18)26-14-12-25(13-15-26)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3
InChIKeyFSVJXPFKKPLLLU-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.23
Rot. Bonds7

About 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine

1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine (PubChem CID 3209270) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine
PubChem CID3209270
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine
SMILESCOCCn1nnnc1C(c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26N6O/c1-28-17-16-27-21(22-23-24-27)20(18-8-4-2-5-9-18)26-14-12-25(13-15-26)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3
InChIKeyFSVJXPFKKPLLLU-UHFFFAOYSA-N
XLogP2.23
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine?
The IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine (CID 3209270) is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine is COCCn1nnnc1C(c1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine?
The InChIKey is FSVJXPFKKPLLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-28-17-16-27-21(22-23-24-27)20(18-8-4-2-5-9-18)26-14-12-25(13-15-26)19-10-6-3-7-11-19/h2-11,20H,12-17H2,1H3.
What are the key properties of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine?
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine has a molecular weight of 378.48 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine is sourced from PubChem (CID 3209270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).