1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine

C23H29FN6O2 — CID 3209300

IUPAC1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine
SMILESCOCCn1nnnc1C(c1ccc(F)cc1)N1CCN(Cc2ccccc2OC)CC1
InChIInChI=1S/C23H29FN6O2/c1-31-16-15-30-23(25-26-27-30)22(18-7-9-20(24)10-8-18)29-13-11-28(12-14-29)17-19-5-3-4-6-21(19)32-2/h3-10,22H,11-17H2,1-2H3
InChIKeyPSVAFMWDVXVGPT-UHFFFAOYSA-N
MW440.52 g/mol
LogP2.37
Rot. Bonds9

About 1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine

1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine (PubChem CID 3209300) has the molecular formula C23H29FN6O2 and a molecular weight of 440.52 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine
PubChem CID3209300
Molecular FormulaC23H29FN6O2
Molecular Weight440.52 g/mol
Exact Mass440.23
IUPAC Name1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine
SMILESCOCCn1nnnc1C(c1ccc(F)cc1)N1CCN(Cc2ccccc2OC)CC1
InChIInChI=1S/C23H29FN6O2/c1-31-16-15-30-23(25-26-27-30)22(18-7-9-20(24)10-8-18)29-13-11-28(12-14-29)17-19-5-3-4-6-21(19)32-2/h3-10,22H,11-17H2,1-2H3
InChIKeyPSVAFMWDVXVGPT-UHFFFAOYSA-N
XLogP2.37
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine (CID 3209300) is 1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine is COCCn1nnnc1C(c1ccc(F)cc1)N1CCN(Cc2ccccc2OC)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine?
The InChIKey is PSVAFMWDVXVGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O2/c1-31-16-15-30-23(25-26-27-30)22(18-7-9-20(24)10-8-18)29-13-11-28(12-14-29)17-19-5-3-4-6-21(19)32-2/h3-10,22H,11-17H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine?
1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine has a molecular weight of 440.52 g/mol, XLogP of 2.37, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3209300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).