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

C21H24Cl2N2O — CID 87616792

IUPACN-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)piperidin-4-imine
SMILESCC(CN1CCC(=NOCc2c(Cl)cccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C21H24Cl2N2O/c1-16(17-6-3-2-4-7-17)14-25-12-10-18(11-13-25)24-26-15-19-20(22)8-5-9-21(19)23/h2-9,16H,10-15H2,1H3
InChIKeyAFFJDWSGZOAFJY-UHFFFAOYSA-N
MW391.34 g/mol
LogP5.77
Rot. Bonds6

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

N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)piperidin-4-imine (PubChem CID 87616792) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)piperidin-4-imine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)piperidin-4-imine
PubChem CID87616792
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC NameN-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)piperidin-4-imine
SMILESCC(CN1CCC(=NOCc2c(Cl)cccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C21H24Cl2N2O/c1-16(17-6-3-2-4-7-17)14-25-12-10-18(11-13-25)24-26-15-19-20(22)8-5-9-21(19)23/h2-9,16H,10-15H2,1H3
InChIKeyAFFJDWSGZOAFJY-UHFFFAOYSA-N
XLogP5.77
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 55.77
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-(2-phenylpropyl)piperidin-4-imine?
The IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)piperidin-4-imine (CID 87616792) is N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)piperidin-4-imine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)piperidin-4-imine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)piperidin-4-imine is CC(CN1CCC(=NOCc2c(Cl)cccc2Cl)CC1)c1ccccc1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)piperidin-4-imine?
The InChIKey is AFFJDWSGZOAFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-16(17-6-3-2-4-7-17)14-25-12-10-18(11-13-25)24-26-15-19-20(22)8-5-9-21(19)23/h2-9,16H,10-15H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)piperidin-4-imine?
N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)piperidin-4-imine has a molecular weight of 391.34 g/mol, XLogP of 5.77, 6 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-(2-phenylpropyl)piperidin-4-imine is sourced from PubChem (CID 87616792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).