(Z)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]piperidin-3-imine;hydrochloride

C18H19ClF2N2O — CID 51357076

IUPAC(Z)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]piperidin-3-imine;hydrochloride
SMILESCl.Fc1ccc(CO/N=C2\CNCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18F2N2O.ClH/c19-15-5-1-13(2-6-15)12-23-22-18-11-21-10-9-17(18)14-3-7-16(20)8-4-14;/h1-8,17,21H,9-12H2;1H/b22-18+;
InChIKeyGMYTTYSMVDUXDT-MLWJBJAVSA-N
MW352.81 g/mol
LogP4.04
Rot. Bonds4

About (Z)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]piperidin-3-imine;hydrochloride

(Z)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]piperidin-3-imine;hydrochloride (PubChem CID 51357076) has the molecular formula C18H19ClF2N2O and a molecular weight of 352.81 g/mol. Its IUPAC name is (Z)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]piperidin-3-imine;hydrochloride.

Molecular Properties

Compound Name(Z)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]piperidin-3-imine;hydrochloride
PubChem CID51357076
Molecular FormulaC18H19ClF2N2O
Molecular Weight352.81 g/mol
Exact Mass352.12
IUPAC Name(Z)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]piperidin-3-imine;hydrochloride
SMILESCl.Fc1ccc(CO/N=C2\CNCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18F2N2O.ClH/c19-15-5-1-13(2-6-15)12-23-22-18-11-21-10-9-17(18)14-3-7-16(20)8-4-14;/h1-8,17,21H,9-12H2;1H/b22-18+;
InChIKeyGMYTTYSMVDUXDT-MLWJBJAVSA-N
XLogP4.04
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.81
LogP ≤ 54.04
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 (Z)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]piperidin-3-imine;hydrochloride?
The IUPAC name of (Z)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]piperidin-3-imine;hydrochloride (CID 51357076) is (Z)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]piperidin-3-imine;hydrochloride.
What is the SMILES notation for (Z)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]piperidin-3-imine;hydrochloride?
The canonical SMILES for (Z)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]piperidin-3-imine;hydrochloride is Cl.Fc1ccc(CO/N=C2\CNCCC2c2ccc(F)cc2)cc1.
What is the InChIKey of (Z)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]piperidin-3-imine;hydrochloride?
The InChIKey is GMYTTYSMVDUXDT-MLWJBJAVSA-N. The full InChI is InChI=1S/C18H18F2N2O.ClH/c19-15-5-1-13(2-6-15)12-23-22-18-11-21-10-9-17(18)14-3-7-16(20)8-4-14;/h1-8,17,21H,9-12H2;1H/b22-18+;.
What are the key properties of (Z)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]piperidin-3-imine;hydrochloride?
(Z)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]piperidin-3-imine;hydrochloride has a molecular weight of 352.81 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]piperidin-3-imine;hydrochloride is sourced from PubChem (CID 51357076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).