1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine

C23H30N6O3 — CID 649413

IUPAC1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
SMILESCOCCn1nnnc1C(c1ccc(OC)cc1OC)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30N6O3/c1-30-16-15-29-23(24-25-26-29)22(20-10-9-19(31-2)17-21(20)32-3)28-13-11-27(12-14-28)18-7-5-4-6-8-18/h4-10,17,22H,11-16H2,1-3H3
InChIKeyDPVQGZDGTSOMJF-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.25
Rot. Bonds9

About 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine

1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine (PubChem CID 649413) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
PubChem CID649413
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
SMILESCOCCn1nnnc1C(c1ccc(OC)cc1OC)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30N6O3/c1-30-16-15-29-23(24-25-26-29)22(20-10-9-19(31-2)17-21(20)32-3)28-13-11-27(12-14-28)18-7-5-4-6-8-18/h4-10,17,22H,11-16H2,1-3H3
InChIKeyDPVQGZDGTSOMJF-UHFFFAOYSA-N
XLogP2.25
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine (CID 649413) is 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine is COCCn1nnnc1C(c1ccc(OC)cc1OC)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
The InChIKey is DPVQGZDGTSOMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-30-16-15-29-23(24-25-26-29)22(20-10-9-19(31-2)17-21(20)32-3)28-13-11-27(12-14-28)18-7-5-4-6-8-18/h4-10,17,22H,11-16H2,1-3H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine has a molecular weight of 438.53 g/mol, XLogP of 2.25, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 649413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).