1-[2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]ethyl]piperazine

C27H30N2O — CID 71817366

IUPAC1-[2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]ethyl]piperazine
SMILESC/C(=C(\c1ccccc1)c1ccc(OCCN2CCNCC2)cc1)c1ccccc1
InChIInChI=1S/C27H30N2O/c1-22(23-8-4-2-5-9-23)27(24-10-6-3-7-11-24)25-12-14-26(15-13-25)30-21-20-29-18-16-28-17-19-29/h2-15,28H,16-21H2,1H3/b27-22-
InChIKeyFHCKXXXJXYWFJW-QYQHSDTDSA-N
MW398.55 g/mol
LogP4.95
Rot. Bonds7

About 1-[2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]ethyl]piperazine

1-[2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]ethyl]piperazine (PubChem CID 71817366) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-[2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]ethyl]piperazine
PubChem CID71817366
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC Name1-[2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]ethyl]piperazine
SMILESC/C(=C(\c1ccccc1)c1ccc(OCCN2CCNCC2)cc1)c1ccccc1
InChIInChI=1S/C27H30N2O/c1-22(23-8-4-2-5-9-23)27(24-10-6-3-7-11-24)25-12-14-26(15-13-25)30-21-20-29-18-16-28-17-19-29/h2-15,28H,16-21H2,1H3/b27-22-
InChIKeyFHCKXXXJXYWFJW-QYQHSDTDSA-N
XLogP4.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-[2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]ethyl]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-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]ethyl]piperazine?
The IUPAC name of 1-[2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]ethyl]piperazine (CID 71817366) is 1-[2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]ethyl]piperazine.
What is the SMILES notation for 1-[2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]ethyl]piperazine?
The canonical SMILES for 1-[2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]ethyl]piperazine is C/C(=C(\c1ccccc1)c1ccc(OCCN2CCNCC2)cc1)c1ccccc1.
What is the InChIKey of 1-[2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]ethyl]piperazine?
The InChIKey is FHCKXXXJXYWFJW-QYQHSDTDSA-N. The full InChI is InChI=1S/C27H30N2O/c1-22(23-8-4-2-5-9-23)27(24-10-6-3-7-11-24)25-12-14-26(15-13-25)30-21-20-29-18-16-28-17-19-29/h2-15,28H,16-21H2,1H3/b27-22-.
What are the key properties of 1-[2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]ethyl]piperazine?
1-[2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]ethyl]piperazine has a molecular weight of 398.55 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]ethyl]piperazine is sourced from PubChem (CID 71817366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).