(E)-2,6-bis(4-methoxyphenyl)-1,3-dimethyl-N-phenylmethoxypiperidin-4-imine

C28H32N2O3 — CID 16728367

IUPAC(E)-2,6-bis(4-methoxyphenyl)-1,3-dimethyl-N-phenylmethoxypiperidin-4-imine
SMILESCOc1ccc(C2C/C(=N\OCc3ccccc3)C(C)C(c3ccc(OC)cc3)N2C)cc1
InChIInChI=1S/C28H32N2O3/c1-20-26(29-33-19-21-8-6-5-7-9-21)18-27(22-10-14-24(31-3)15-11-22)30(2)28(20)23-12-16-25(32-4)17-13-23/h5-17,20,27-28H,18-19H2,1-4H3/b29-26+
InChIKeyXZOFKZNSGNSMMC-PBBVDAKRSA-N
MW444.58 g/mol
LogP6.03
Rot. Bonds7

About (E)-2,6-bis(4-methoxyphenyl)-1,3-dimethyl-N-phenylmethoxypiperidin-4-imine

(E)-2,6-bis(4-methoxyphenyl)-1,3-dimethyl-N-phenylmethoxypiperidin-4-imine (PubChem CID 16728367) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is (E)-2,6-bis(4-methoxyphenyl)-1,3-dimethyl-N-phenylmethoxypiperidin-4-imine.

Molecular Properties

Compound Name(E)-2,6-bis(4-methoxyphenyl)-1,3-dimethyl-N-phenylmethoxypiperidin-4-imine
PubChem CID16728367
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC Name(E)-2,6-bis(4-methoxyphenyl)-1,3-dimethyl-N-phenylmethoxypiperidin-4-imine
SMILESCOc1ccc(C2C/C(=N\OCc3ccccc3)C(C)C(c3ccc(OC)cc3)N2C)cc1
InChIInChI=1S/C28H32N2O3/c1-20-26(29-33-19-21-8-6-5-7-9-21)18-27(22-10-14-24(31-3)15-11-22)30(2)28(20)23-12-16-25(32-4)17-13-23/h5-17,20,27-28H,18-19H2,1-4H3/b29-26+
InChIKeyXZOFKZNSGNSMMC-PBBVDAKRSA-N
XLogP6.03
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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)-2,6-bis(4-methoxyphenyl)-1,3-dimethyl-N-phenylmethoxypiperidin-4-imine?
The IUPAC name of (E)-2,6-bis(4-methoxyphenyl)-1,3-dimethyl-N-phenylmethoxypiperidin-4-imine (CID 16728367) is (E)-2,6-bis(4-methoxyphenyl)-1,3-dimethyl-N-phenylmethoxypiperidin-4-imine.
What is the SMILES notation for (E)-2,6-bis(4-methoxyphenyl)-1,3-dimethyl-N-phenylmethoxypiperidin-4-imine?
The canonical SMILES for (E)-2,6-bis(4-methoxyphenyl)-1,3-dimethyl-N-phenylmethoxypiperidin-4-imine is COc1ccc(C2C/C(=N\OCc3ccccc3)C(C)C(c3ccc(OC)cc3)N2C)cc1.
What is the InChIKey of (E)-2,6-bis(4-methoxyphenyl)-1,3-dimethyl-N-phenylmethoxypiperidin-4-imine?
The InChIKey is XZOFKZNSGNSMMC-PBBVDAKRSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-20-26(29-33-19-21-8-6-5-7-9-21)18-27(22-10-14-24(31-3)15-11-22)30(2)28(20)23-12-16-25(32-4)17-13-23/h5-17,20,27-28H,18-19H2,1-4H3/b29-26+.
What are the key properties of (E)-2,6-bis(4-methoxyphenyl)-1,3-dimethyl-N-phenylmethoxypiperidin-4-imine?
(E)-2,6-bis(4-methoxyphenyl)-1,3-dimethyl-N-phenylmethoxypiperidin-4-imine has a molecular weight of 444.58 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6-bis(4-methoxyphenyl)-1,3-dimethyl-N-phenylmethoxypiperidin-4-imine is sourced from PubChem (CID 16728367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).