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

C18H19Cl2FN2O — CID 51357349

IUPAC(E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine;hydrochloride
SMILESCl.Fc1ccc(C2CCNC/C2=N/OCc2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClFN2O.ClH/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;1H/b22-18-;
InChIKeyXIKHQRBGHXVNLE-QNCGTCMPSA-N
MW369.27 g/mol
LogP4.55
Rot. Bonds4

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

(E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine;hydrochloride (PubChem CID 51357349) has the molecular formula C18H19Cl2FN2O and a molecular weight of 369.27 g/mol. Its IUPAC name is (E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine;hydrochloride.

Molecular Properties

Compound Name(E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine;hydrochloride
PubChem CID51357349
Molecular FormulaC18H19Cl2FN2O
Molecular Weight369.27 g/mol
Exact Mass368.09
IUPAC Name(E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine;hydrochloride
SMILESCl.Fc1ccc(C2CCNC/C2=N/OCc2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClFN2O.ClH/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;1H/b22-18-;
InChIKeyXIKHQRBGHXVNLE-QNCGTCMPSA-N
XLogP4.55
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 54.55
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;hydrochloride?
The IUPAC name of (E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine;hydrochloride (CID 51357349) is (E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine;hydrochloride.
What is the SMILES notation for (E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine;hydrochloride?
The canonical SMILES for (E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine;hydrochloride is Cl.Fc1ccc(C2CCNC/C2=N/OCc2ccccc2Cl)cc1.
What is the InChIKey of (E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine;hydrochloride?
The InChIKey is XIKHQRBGHXVNLE-QNCGTCMPSA-N. The full InChI is InChI=1S/C18H18ClFN2O.ClH/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;1H/b22-18-;.
What are the key properties of (E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine;hydrochloride?
(E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine;hydrochloride has a molecular weight of 369.27 g/mol, XLogP of 4.55, 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;hydrochloride is sourced from PubChem (CID 51357349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).