1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

C28H31BrN2O — CID 6444278

IUPAC1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESBrc1ccc(C(OCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C28H31BrN2O/c29-27-15-13-26(14-16-27)28(25-11-5-2-6-12-25)32-23-22-31-20-18-30(19-21-31)17-7-10-24-8-3-1-4-9-24/h1-16,28H,17-23H2/b10-7+
InChIKeyKEPQEWLXVDKLRA-JXMROGBWSA-N
MW491.47 g/mol
LogP5.89
Rot. Bonds9

About 1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 6444278) has the molecular formula C28H31BrN2O and a molecular weight of 491.47 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID6444278
Molecular FormulaC28H31BrN2O
Molecular Weight491.47 g/mol
Exact Mass490.16
IUPAC Name1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESBrc1ccc(C(OCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C28H31BrN2O/c29-27-15-13-26(14-16-27)28(25-11-5-2-6-12-25)32-23-22-31-20-18-30(19-21-31)17-7-10-24-8-3-1-4-9-24/h1-16,28H,17-23H2/b10-7+
InChIKeyKEPQEWLXVDKLRA-JXMROGBWSA-N
XLogP5.89
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.47
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 6444278) is 1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is Brc1ccc(C(OCCN2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is KEPQEWLXVDKLRA-JXMROGBWSA-N. The full InChI is InChI=1S/C28H31BrN2O/c29-27-15-13-26(14-16-27)28(25-11-5-2-6-12-25)32-23-22-31-20-18-30(19-21-31)17-7-10-24-8-3-1-4-9-24/h1-16,28H,17-23H2/b10-7+.
What are the key properties of 1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 491.47 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromophenyl)-phenylmethoxy]ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 6444278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).