(Z)-1-(4-bromophenyl)-N-[(E)-[1-(4-bromophenyl)-3-piperidin-1-ylpropylidene]amino]-3-piperidin-1-ylpropan-1-imine

C28H36Br2N4 — CID 86289009

About (Z)-1-(4-bromophenyl)-N-[(E)-[1-(4-bromophenyl)-3-piperidin-1-ylpropylidene]amino]-3-piperidin-1-ylpropan-1-imine

(Z)-1-(4-bromophenyl)-N-[(E)-[1-(4-bromophenyl)-3-piperidin-1-ylpropylidene]amino]-3-piperidin-1-ylpropan-1-imine (PubChem CID 86289009) has the molecular formula C28H36Br2N4 and a molecular weight of 588.43 g/mol. Its IUPAC name is (Z)-1-(4-bromophenyl)-N-[(E)-[1-(4-bromophenyl)-3-piperidin-1-ylpropylidene]amino]-3-piperidin-1-ylpropan-1-imine.

Molecular Properties

• Compound Name: (Z)-1-(4-bromophenyl)-N-[(E)-[1-(4-bromophenyl)-3-piperidin-1-ylpropylidene]amino]-3-piperidin-1-ylpropan-1-imine
• PubChem CID: 86289009
• Molecular Formula: C28H36Br2N4
• Molecular Weight: 588.43 g/mol
• Exact Mass: 586.13
• IUPAC Name: (Z)-1-(4-bromophenyl)-N-[(E)-[1-(4-bromophenyl)-3-piperidin-1-ylpropylidene]amino]-3-piperidin-1-ylpropan-1-imine
• SMILES: Brc1ccc(/C(CCN2CCCCC2)=N\N=C(/CCN2CCCCC2)c2ccc(Br)cc2)cc1
• InChI: InChI=1S/C28H36Br2N4/c29-25-11-7-23(8-12-25)27(15-21-33-17-3-1-4-18-33)31-32-28(24-9-13-26(30)14-10-24)16-22-34-19-5-2-6-20-34/h7-14H,1-6,15-22H2/b31-27-,32-28+
• InChIKey: VWPHRHFDYARCLD-GYNJYFOTSA-N
• XLogP: 7.16
• TPSA: 31.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.43
LogP ≤ 5	7.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-bromophenyl)-N-[(E)-[1-(4-bromophenyl)-3-piperidin-1-ylpropylidene]amino]-3-piperidin-1-ylpropan-1-imine?

The IUPAC name of (Z)-1-(4-bromophenyl)-N-[(E)-[1-(4-bromophenyl)-3-piperidin-1-ylpropylidene]amino]-3-piperidin-1-ylpropan-1-imine (CID 86289009) is (Z)-1-(4-bromophenyl)-N-[(E)-[1-(4-bromophenyl)-3-piperidin-1-ylpropylidene]amino]-3-piperidin-1-ylpropan-1-imine.

What is the SMILES notation for (Z)-1-(4-bromophenyl)-N-[(E)-[1-(4-bromophenyl)-3-piperidin-1-ylpropylidene]amino]-3-piperidin-1-ylpropan-1-imine?

The canonical SMILES for (Z)-1-(4-bromophenyl)-N-[(E)-[1-(4-bromophenyl)-3-piperidin-1-ylpropylidene]amino]-3-piperidin-1-ylpropan-1-imine is Brc1ccc(/C(CCN2CCCCC2)=N\N=C(/CCN2CCCCC2)c2ccc(Br)cc2)cc1.

What is the InChIKey of (Z)-1-(4-bromophenyl)-N-[(E)-[1-(4-bromophenyl)-3-piperidin-1-ylpropylidene]amino]-3-piperidin-1-ylpropan-1-imine?

The InChIKey is VWPHRHFDYARCLD-GYNJYFOTSA-N. The full InChI is InChI=1S/C28H36Br2N4/c29-25-11-7-23(8-12-25)27(15-21-33-17-3-1-4-18-33)31-32-28(24-9-13-26(30)14-10-24)16-22-34-19-5-2-6-20-34/h7-14H,1-6,15-22H2/b31-27-,32-28+.

What are the key properties of (Z)-1-(4-bromophenyl)-N-[(E)-[1-(4-bromophenyl)-3-piperidin-1-ylpropylidene]amino]-3-piperidin-1-ylpropan-1-imine?

(Z)-1-(4-bromophenyl)-N-[(E)-[1-(4-bromophenyl)-3-piperidin-1-ylpropylidene]amino]-3-piperidin-1-ylpropan-1-imine has a molecular weight of 588.43 g/mol, XLogP of 7.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-(4-bromophenyl)-N-[(E)-[1-(4-bromophenyl)-3-piperidin-1-ylpropylidene]amino]-3-piperidin-1-ylpropan-1-imine is sourced from PubChem (CID 86289009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).