N-[(2,6-dichlorophenyl)methoxy]-1-(3-phenylpropyl)piperidin-4-imine

C21H24Cl2N2O — CID 24773636

IUPACN-[(2,6-dichlorophenyl)methoxy]-1-(3-phenylpropyl)piperidin-4-imine
SMILESClc1cccc(Cl)c1CON=C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C21H24Cl2N2O/c22-20-9-4-10-21(23)19(20)16-26-24-18-11-14-25(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10H,5,8,11-16H2
InChIKeyZZLQXIOXUISDRP-UHFFFAOYSA-N
MW391.34 g/mol
LogP5.59
Rot. Bonds7

About N-[(2,6-dichlorophenyl)methoxy]-1-(3-phenylpropyl)piperidin-4-imine

N-[(2,6-dichlorophenyl)methoxy]-1-(3-phenylpropyl)piperidin-4-imine (PubChem CID 24773636) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methoxy]-1-(3-phenylpropyl)piperidin-4-imine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methoxy]-1-(3-phenylpropyl)piperidin-4-imine
PubChem CID24773636
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC NameN-[(2,6-dichlorophenyl)methoxy]-1-(3-phenylpropyl)piperidin-4-imine
SMILESClc1cccc(Cl)c1CON=C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C21H24Cl2N2O/c22-20-9-4-10-21(23)19(20)16-26-24-18-11-14-25(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10H,5,8,11-16H2
InChIKeyZZLQXIOXUISDRP-UHFFFAOYSA-N
XLogP5.59
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-1-(3-phenylpropyl)piperidin-4-imine?
The IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-1-(3-phenylpropyl)piperidin-4-imine (CID 24773636) is N-[(2,6-dichlorophenyl)methoxy]-1-(3-phenylpropyl)piperidin-4-imine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methoxy]-1-(3-phenylpropyl)piperidin-4-imine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methoxy]-1-(3-phenylpropyl)piperidin-4-imine is Clc1cccc(Cl)c1CON=C1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methoxy]-1-(3-phenylpropyl)piperidin-4-imine?
The InChIKey is ZZLQXIOXUISDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c22-20-9-4-10-21(23)19(20)16-26-24-18-11-14-25(15-12-18)13-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10H,5,8,11-16H2.
What are the key properties of N-[(2,6-dichlorophenyl)methoxy]-1-(3-phenylpropyl)piperidin-4-imine?
N-[(2,6-dichlorophenyl)methoxy]-1-(3-phenylpropyl)piperidin-4-imine has a molecular weight of 391.34 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methoxy]-1-(3-phenylpropyl)piperidin-4-imine is sourced from PubChem (CID 24773636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).