(E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine

C20H30N2O — CID 18993354

IUPAC(E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine
SMILESCCCC(/C=C/c1ccccc1)=N\OCCCN1CCCCC1
InChIInChI=1S/C20H30N2O/c1-2-10-20(14-13-19-11-5-3-6-12-19)21-23-18-9-17-22-15-7-4-8-16-22/h3,5-6,11-14H,2,4,7-10,15-18H2,1H3/b14-13+,21-20+
InChIKeyMQIBLWABYUHXMZ-ZMRJXIGFSA-N
MW314.47 g/mol
LogP4.75
Rot. Bonds9

About (E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine

(E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine (PubChem CID 18993354) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is (E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine.

Molecular Properties

Compound Name(E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine
PubChem CID18993354
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name(E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine
SMILESCCCC(/C=C/c1ccccc1)=N\OCCCN1CCCCC1
InChIInChI=1S/C20H30N2O/c1-2-10-20(14-13-19-11-5-3-6-12-19)21-23-18-9-17-22-15-7-4-8-16-22/h3,5-6,11-14H,2,4,7-10,15-18H2,1H3/b14-13+,21-20+
InChIKeyMQIBLWABYUHXMZ-ZMRJXIGFSA-N
XLogP4.75
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[C-(4-phenylbutyl)-N-(3-piperidin-1-ylpropoxy)carbonimidoyl]phenol
CID 173415956
1-(4-fluorophenyl)-5-phenyl-N-(3-piperidin-1-ylpropoxy)pentan-1-imine
CID 173415993
1,5-diphenyl-N-(3-pyrrolidin-1-ylpropoxy)pentan-1-imine
CID 173416034
N-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
CID 42697019
1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]azepane
CID 70526767
(E)-3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]prop-2-enoic acid
CID 23150322
1-(4-methylsulfanylphenyl)-1-naphthalen-1-yl-N-(3-piperidin-1-ylpropoxy)methanimine;oxalic acid
CID 122619789
ethyl (E)-3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]prop-2-enoate
CID 23150314
N-(2-hydroxy-3-piperidin-1-ylpropoxy)-3-phenylprop-2-enimidoyl chloride
CID 73432834
(E)-1-phenyl-4-(piperidin-1-ylmethyl)non-1-en-3-one;hydrobromide
CID 54604563
5-phenyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]pentan-1-one
CID 54372939
1-[3-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]propyl]pyrrolidine
CID 144608980

Frequently Asked Questions

What is the IUPAC name of (E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine?
The IUPAC name of (E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine (CID 18993354) is (E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine.
What is the SMILES notation for (E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine?
The canonical SMILES for (E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine is CCCC(/C=C/c1ccccc1)=N\OCCCN1CCCCC1.
What is the InChIKey of (E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine?
The InChIKey is MQIBLWABYUHXMZ-ZMRJXIGFSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-10-20(14-13-19-11-5-3-6-12-19)21-23-18-9-17-22-15-7-4-8-16-22/h3,5-6,11-14H,2,4,7-10,15-18H2,1H3/b14-13+,21-20+.
What are the key properties of (E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine?
(E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine has a molecular weight of 314.47 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-1-phenyl-N-(3-piperidin-1-ylpropoxy)hex-1-en-3-imine is sourced from PubChem (CID 18993354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).