(E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine

C22H26Cl2N2O — CID 24774611

IUPAC(E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine
SMILESClc1cccc(Cl)c1CO/N=C/C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C22H26Cl2N2O/c23-21-9-4-10-22(24)20(21)17-27-25-16-19-11-14-26(15-12-19)13-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,19H,5,8,11-15,17H2/b25-16+
InChIKeyTYMLNUUWQYYETK-PCLIKHOPSA-N
MW405.37 g/mol
LogP5.84
Rot. Bonds8

About (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine

(E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine (PubChem CID 24774611) has the molecular formula C22H26Cl2N2O and a molecular weight of 405.37 g/mol. Its IUPAC name is (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine.

Molecular Properties

Compound Name(E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine
PubChem CID24774611
Molecular FormulaC22H26Cl2N2O
Molecular Weight405.37 g/mol
Exact Mass404.14
IUPAC Name(E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine
SMILESClc1cccc(Cl)c1CO/N=C/C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C22H26Cl2N2O/c23-21-9-4-10-22(24)20(21)17-27-25-16-19-11-14-26(15-12-19)13-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,19H,5,8,11-15,17H2/b25-16+
InChIKeyTYMLNUUWQYYETK-PCLIKHOPSA-N
XLogP5.84
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.37
LogP ≤ 55.84
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 (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine?
The IUPAC name of (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine (CID 24774611) is (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine.
What is the SMILES notation for (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine?
The canonical SMILES for (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine is Clc1cccc(Cl)c1CO/N=C/C1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine?
The InChIKey is TYMLNUUWQYYETK-PCLIKHOPSA-N. The full InChI is InChI=1S/C22H26Cl2N2O/c23-21-9-4-10-22(24)20(21)17-27-25-16-19-11-14-26(15-12-19)13-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,19H,5,8,11-15,17H2/b25-16+.
What are the key properties of (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine?
(E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine has a molecular weight of 405.37 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-yl]methanimine is sourced from PubChem (CID 24774611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).