(E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol

C28H37N3O — CID 167028412

IUPAC(E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol
SMILESCN1CCN(C2CC=C(/C(=C(/CCCO)c3ccccc3)c3ccc(N)cc3)CC2)CC1
InChIInChI=1S/C28H37N3O/c1-30-17-19-31(20-18-30)26-15-11-24(12-16-26)28(23-9-13-25(29)14-10-23)27(8-5-21-32)22-6-3-2-4-7-22/h2-4,6-7,9-11,13-14,26,32H,5,8,12,15-21,29H2,1H3/b28-27-
InChIKeyPYXVDVXSAJDJRN-DQSJHHFOSA-N
MW431.62 g/mol
LogP4.68
Rot. Bonds7

About (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol

(E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol (PubChem CID 167028412) has the molecular formula C28H37N3O and a molecular weight of 431.62 g/mol. Its IUPAC name is (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol.

Molecular Properties

Compound Name(E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol
PubChem CID167028412
Molecular FormulaC28H37N3O
Molecular Weight431.62 g/mol
Exact Mass431.29
IUPAC Name(E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol
SMILESCN1CCN(C2CC=C(/C(=C(/CCCO)c3ccccc3)c3ccc(N)cc3)CC2)CC1
InChIInChI=1S/C28H37N3O/c1-30-17-19-31(20-18-30)26-15-11-24(12-16-26)28(23-9-13-25(29)14-10-23)27(8-5-21-32)22-6-3-2-4-7-22/h2-4,6-7,9-11,13-14,26,32H,5,8,12,15-21,29H2,1H3/b28-27-
InChIKeyPYXVDVXSAJDJRN-DQSJHHFOSA-N
XLogP4.68
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.62
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol 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 (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol?
The IUPAC name of (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol (CID 167028412) is (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol.
What is the SMILES notation for (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol?
The canonical SMILES for (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol is CN1CCN(C2CC=C(/C(=C(/CCCO)c3ccccc3)c3ccc(N)cc3)CC2)CC1.
What is the InChIKey of (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol?
The InChIKey is PYXVDVXSAJDJRN-DQSJHHFOSA-N. The full InChI is InChI=1S/C28H37N3O/c1-30-17-19-31(20-18-30)26-15-11-24(12-16-26)28(23-9-13-25(29)14-10-23)27(8-5-21-32)22-6-3-2-4-7-22/h2-4,6-7,9-11,13-14,26,32H,5,8,12,15-21,29H2,1H3/b28-27-.
What are the key properties of (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol?
(E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol has a molecular weight of 431.62 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-aminophenyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexen-1-yl]-4-phenylpent-4-en-1-ol is sourced from PubChem (CID 167028412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).