(Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol

C28H32N2O — CID 138492981

IUPAC(Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol
SMILESCc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C28H32N2O/c1-22-9-11-24(12-10-22)28(27(8-5-21-31)23-6-3-2-4-7-23)25-13-15-26(16-14-25)30-19-17-29-18-20-30/h2-4,6-7,9-16,29,31H,5,8,17-21H2,1H3/b28-27-
InChIKeyHKHZCGLOODLGDB-DQSJHHFOSA-N
MW412.58 g/mol
LogP5.14
Rot. Bonds7

About (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol

(Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol (PubChem CID 138492981) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol.

Molecular Properties

Compound Name(Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol
PubChem CID138492981
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC Name(Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol
SMILESCc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(N3CCNCC3)cc2)cc1
InChIInChI=1S/C28H32N2O/c1-22-9-11-24(12-10-22)28(27(8-5-21-31)23-6-3-2-4-7-23)25-13-15-26(16-14-25)30-19-17-29-18-20-30/h2-4,6-7,9-16,29,31H,5,8,17-21H2,1H3/b28-27-
InChIKeyHKHZCGLOODLGDB-DQSJHHFOSA-N
XLogP5.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol?
The IUPAC name of (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol (CID 138492981) is (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol.
What is the SMILES notation for (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol?
The canonical SMILES for (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol is Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(N3CCNCC3)cc2)cc1.
What is the InChIKey of (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol?
The InChIKey is HKHZCGLOODLGDB-DQSJHHFOSA-N. The full InChI is InChI=1S/C28H32N2O/c1-22-9-11-24(12-10-22)28(27(8-5-21-31)23-6-3-2-4-7-23)25-13-15-26(16-14-25)30-19-17-29-18-20-30/h2-4,6-7,9-16,29,31H,5,8,17-21H2,1H3/b28-27-.
What are the key properties of (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol?
(Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol has a molecular weight of 412.58 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(4-methylphenyl)-4-phenyl-5-(4-piperazin-1-ylphenyl)pent-4-en-1-ol is sourced from PubChem (CID 138492981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).