1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine chloride

C22H23Cl2N6O2- — CID 53314104

About 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine chloride

1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine chloride (PubChem CID 53314104) has the molecular formula C22H23Cl2N6O2- and a molecular weight of 474.37 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine chloride.

Molecular Properties

• Compound Name: 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine chloride
• PubChem CID: 53314104
• Molecular Formula: C22H23Cl2N6O2-
• Molecular Weight: 474.37 g/mol
• Exact Mass: 473.13
• IUPAC Name: 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine chloride
• SMILES: Clc1ccccc1C(c1nnnn1Cc1ccco1)N1CCN(Cc2ccco2)CC1.[Cl-]
• InChI: InChI=1S/C22H23ClN6O2.ClH/c23-20-8-2-1-7-19(20)21(22-24-25-26-29(22)16-18-6-4-14-31-18)28-11-9-27(10-12-28)15-17-5-3-13-30-17;/h1-8,13-14,21H,9-12,15-16H2;1H/p-1
• InChIKey: PXUSSZJBUCYPKU-UHFFFAOYSA-M
• XLogP: 0.47
• TPSA: 76.36 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.37
LogP ≤ 5	0.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine chloride?

The IUPAC name of 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine chloride (CID 53314104) is 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine chloride.

What is the SMILES notation for 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine chloride?

The canonical SMILES for 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine chloride is Clc1ccccc1C(c1nnnn1Cc1ccco1)N1CCN(Cc2ccco2)CC1.[Cl-].

What is the InChIKey of 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine chloride?

The InChIKey is PXUSSZJBUCYPKU-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H23ClN6O2.ClH/c23-20-8-2-1-7-19(20)21(22-24-25-26-29(22)16-18-6-4-14-31-18)28-11-9-27(10-12-28)15-17-5-3-13-30-17;/h1-8,13-14,21H,9-12,15-16H2;1H/p-1.

What are the key properties of 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine chloride?

1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine chloride has a molecular weight of 474.37 g/mol, XLogP of 0.47, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-chlorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]-4-(furan-2-ylmethyl)piperazine chloride is sourced from PubChem (CID 53314104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).