(E)-5-(4-aminophenyl)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol;hydrochloride

C31H39ClN2O — CID 162647144

IUPAC(E)-5-(4-aminophenyl)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol;hydrochloride
SMILESCC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(N)cc3)cc2)CC1.Cl
InChIInChI=1S/C31H38N2O.ClH/c1-23(2)33-20-18-25(19-21-33)24-10-12-27(13-11-24)31(28-14-16-29(32)17-15-28)30(9-6-22-34)26-7-4-3-5-8-26;/h3-5,7-8,10-17,23,25,34H,6,9,18-22,32H2,1-2H3;1H/b31-30+;
InChIKeyXTTODODVNOVCQG-FJISBNMDSA-N
MW491.12 g/mol
LogP7.01
Rot. Bonds8

About (E)-5-(4-aminophenyl)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol;hydrochloride

(E)-5-(4-aminophenyl)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol;hydrochloride (PubChem CID 162647144) has the molecular formula C31H39ClN2O and a molecular weight of 491.12 g/mol. Its IUPAC name is (E)-5-(4-aminophenyl)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol;hydrochloride.

Molecular Properties

Compound Name(E)-5-(4-aminophenyl)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol;hydrochloride
PubChem CID162647144
Molecular FormulaC31H39ClN2O
Molecular Weight491.12 g/mol
Exact Mass490.28
IUPAC Name(E)-5-(4-aminophenyl)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol;hydrochloride
SMILESCC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(N)cc3)cc2)CC1.Cl
InChIInChI=1S/C31H38N2O.ClH/c1-23(2)33-20-18-25(19-21-33)24-10-12-27(13-11-24)31(28-14-16-29(32)17-15-28)30(9-6-22-34)26-7-4-3-5-8-26;/h3-5,7-8,10-17,23,25,34H,6,9,18-22,32H2,1-2H3;1H/b31-30+;
InChIKeyXTTODODVNOVCQG-FJISBNMDSA-N
XLogP7.01
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.12
LogP ≤ 57.01
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)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol;hydrochloride 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)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol;hydrochloride?
The IUPAC name of (E)-5-(4-aminophenyl)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol;hydrochloride (CID 162647144) is (E)-5-(4-aminophenyl)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol;hydrochloride.
What is the SMILES notation for (E)-5-(4-aminophenyl)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol;hydrochloride?
The canonical SMILES for (E)-5-(4-aminophenyl)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol;hydrochloride is CC(C)N1CCC(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(N)cc3)cc2)CC1.Cl.
What is the InChIKey of (E)-5-(4-aminophenyl)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol;hydrochloride?
The InChIKey is XTTODODVNOVCQG-FJISBNMDSA-N. The full InChI is InChI=1S/C31H38N2O.ClH/c1-23(2)33-20-18-25(19-21-33)24-10-12-27(13-11-24)31(28-14-16-29(32)17-15-28)30(9-6-22-34)26-7-4-3-5-8-26;/h3-5,7-8,10-17,23,25,34H,6,9,18-22,32H2,1-2H3;1H/b31-30+;.
What are the key properties of (E)-5-(4-aminophenyl)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol;hydrochloride?
(E)-5-(4-aminophenyl)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol;hydrochloride has a molecular weight of 491.12 g/mol, XLogP of 7.01, 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)-4-phenyl-5-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]pent-4-en-1-ol;hydrochloride is sourced from PubChem (CID 162647144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).