(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol

C31H36N2O — CID 138493100

IUPAC(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol
SMILESNc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CCN(C4CC4)CC3)cc2)cc1
InChIInChI=1S/C31H36N2O/c32-28-14-12-27(13-15-28)31(30(7-4-22-34)25-5-2-1-3-6-25)26-10-8-23(9-11-26)24-18-20-33(21-19-24)29-16-17-29/h1-3,5-6,8-15,24,29,34H,4,7,16-22,32H2/b31-30+
InChIKeyHUUJPLNARMHIEB-NVQSTNCTSA-N
MW452.64 g/mol
LogP6.34
Rot. Bonds8

About (E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol

(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol (PubChem CID 138493100) has the molecular formula C31H36N2O and a molecular weight of 452.64 g/mol. Its IUPAC name is (E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol.

Molecular Properties

Compound Name(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol
PubChem CID138493100
Molecular FormulaC31H36N2O
Molecular Weight452.64 g/mol
Exact Mass452.28
IUPAC Name(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol
SMILESNc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CCN(C4CC4)CC3)cc2)cc1
InChIInChI=1S/C31H36N2O/c32-28-14-12-27(13-15-28)31(30(7-4-22-34)25-5-2-1-3-6-25)26-10-8-23(9-11-26)24-18-20-33(21-19-24)29-16-17-29/h1-3,5-6,8-15,24,29,34H,4,7,16-22,32H2/b31-30+
InChIKeyHUUJPLNARMHIEB-NVQSTNCTSA-N
XLogP6.34
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.64
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-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-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol?
The IUPAC name of (E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol (CID 138493100) is (E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol.
What is the SMILES notation for (E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol?
The canonical SMILES for (E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol is Nc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(C3CCN(C4CC4)CC3)cc2)cc1.
What is the InChIKey of (E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol?
The InChIKey is HUUJPLNARMHIEB-NVQSTNCTSA-N. The full InChI is InChI=1S/C31H36N2O/c32-28-14-12-27(13-15-28)31(30(7-4-22-34)25-5-2-1-3-6-25)26-10-8-23(9-11-26)24-18-20-33(21-19-24)29-16-17-29/h1-3,5-6,8-15,24,29,34H,4,7,16-22,32H2/b31-30+.
What are the key properties of (E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol?
(E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol has a molecular weight of 452.64 g/mol, XLogP of 6.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(4-aminophenyl)-5-[4-(1-cyclopropylpiperidin-4-yl)phenyl]-4-phenylpent-4-en-1-ol is sourced from PubChem (CID 138493100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).