(E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine

C18H18ClFN2O — CID 51351490

IUPAC(E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine
SMILESFc1ccc(C2CCNC/C2=N/OCc2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClFN2O/c19-17-4-2-1-3-14(17)12-23-22-18-11-21-10-9-16(18)13-5-7-15(20)8-6-13/h1-8,16,21H,9-12H2/b22-18-
InChIKeyPWWHZINPFBTHKF-PYCFMQQDSA-N
MW332.81 g/mol
LogP4.13
Rot. Bonds4

About (E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine

(E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine (PubChem CID 51351490) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is (E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine.

Molecular Properties

Compound Name(E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine
PubChem CID51351490
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name(E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine
SMILESFc1ccc(C2CCNC/C2=N/OCc2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClFN2O/c19-17-4-2-1-3-14(17)12-23-22-18-11-21-10-9-16(18)13-5-7-15(20)8-6-13/h1-8,16,21H,9-12H2/b22-18-
InChIKeyPWWHZINPFBTHKF-PYCFMQQDSA-N
XLogP4.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.13
H-Bond Donors ≤ 51
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 (E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine?
The IUPAC name of (E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine (CID 51351490) is (E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine.
What is the SMILES notation for (E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine?
The canonical SMILES for (E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine is Fc1ccc(C2CCNC/C2=N/OCc2ccccc2Cl)cc1.
What is the InChIKey of (E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine?
The InChIKey is PWWHZINPFBTHKF-PYCFMQQDSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c19-17-4-2-1-3-14(17)12-23-22-18-11-21-10-9-16(18)13-5-7-15(20)8-6-13/h1-8,16,21H,9-12H2/b22-18-.
What are the key properties of (E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine?
(E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine has a molecular weight of 332.81 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine is sourced from PubChem (CID 51351490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).