(Z)-1-benzyl-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine

C25H24ClFN2O — CID 51357636

IUPAC(Z)-1-benzyl-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine
SMILESFc1ccc(C2CCN(Cc3ccccc3)C/C2=N\OCc2ccccc2Cl)cc1
InChIInChI=1S/C25H24ClFN2O/c26-24-9-5-4-8-21(24)18-30-28-25-17-29(16-19-6-2-1-3-7-19)15-14-23(25)20-10-12-22(27)13-11-20/h1-13,23H,14-18H2/b28-25+
InChIKeySDOKHAQBBUJHOD-AZPGRJICSA-N
MW422.93 g/mol
LogP6.04
Rot. Bonds6

About (Z)-1-benzyl-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine

(Z)-1-benzyl-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine (PubChem CID 51357636) has the molecular formula C25H24ClFN2O and a molecular weight of 422.93 g/mol. Its IUPAC name is (Z)-1-benzyl-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine.

Molecular Properties

Compound Name(Z)-1-benzyl-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine
PubChem CID51357636
Molecular FormulaC25H24ClFN2O
Molecular Weight422.93 g/mol
Exact Mass422.16
IUPAC Name(Z)-1-benzyl-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine
SMILESFc1ccc(C2CCN(Cc3ccccc3)C/C2=N\OCc2ccccc2Cl)cc1
InChIInChI=1S/C25H24ClFN2O/c26-24-9-5-4-8-21(24)18-30-28-25-17-29(16-19-6-2-1-3-7-19)15-14-23(25)20-10-12-22(27)13-11-20/h1-13,23H,14-18H2/b28-25+
InChIKeySDOKHAQBBUJHOD-AZPGRJICSA-N
XLogP6.04
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.93
LogP ≤ 56.04
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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Related Compounds

(E)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine;hydrochloride
CID 51357349
(Z)-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine;hydrochloride
CID 51357350
N-benzyloxy-1-methyl-2,6-diphenyl-piperidin-4-imine
CID 338334
1-(2-phenylpropyl)-4-oxopiperidine O-(2,6-Dichlorobenzyl)oxime
CID 24773636
2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxypiperidin-4-imine
CID 44219760
(E)-2,6-bis(4-chlorophenyl)-3-methyl-N-phenylmethoxypiperidin-4-imine
CID 45266939
2,6-bis(4-chlorophenyl)-N-phenylmethoxypiperidin-4-imine
CID 45267034
N-benzyloxy-2,4-bis(2-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-imine
CID 46878911
N-(Benzyloxy)-2,4-bis(4-chlorophenyl)-3-methyl-3-azabicyclo[3.3.1]nonan-9-imine
CID 46878994
(2R,3S,6S)-1-allyl-N-benzyloxy-2,6-bis(4-chlorophenyl)-3-methyl-piperidin-4-imine
CID 71449652
(2S,3R,5S,6R)-3,5-dimethyl-2,6-diphenyl-N-phenylmethoxy-1-prop-2-enylpiperidin-4-imine
CID 71453287
(2R,6S)-1-allyl-N-benzyloxy-2,6-diphenyl-piperidin-4-imine
CID 71458655

Frequently Asked Questions

What is the IUPAC name of (Z)-1-benzyl-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine?
The IUPAC name of (Z)-1-benzyl-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine (CID 51357636) is (Z)-1-benzyl-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine.
What is the SMILES notation for (Z)-1-benzyl-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine?
The canonical SMILES for (Z)-1-benzyl-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine is Fc1ccc(C2CCN(Cc3ccccc3)C/C2=N\OCc2ccccc2Cl)cc1.
What is the InChIKey of (Z)-1-benzyl-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine?
The InChIKey is SDOKHAQBBUJHOD-AZPGRJICSA-N. The full InChI is InChI=1S/C25H24ClFN2O/c26-24-9-5-4-8-21(24)18-30-28-25-17-29(16-19-6-2-1-3-7-19)15-14-23(25)20-10-12-22(27)13-11-20/h1-13,23H,14-18H2/b28-25+.
What are the key properties of (Z)-1-benzyl-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine?
(Z)-1-benzyl-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine has a molecular weight of 422.93 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-benzyl-N-[(2-chlorophenyl)methoxy]-4-(4-fluorophenyl)piperidin-3-imine is sourced from PubChem (CID 51357636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).