2,6-diethyl-2,3,6-trimethyl-N,1-bis(phenylmethoxy)piperidin-4-imine

C26H36N2O2 — CID 73446135

IUPAC2,6-diethyl-2,3,6-trimethyl-N,1-bis(phenylmethoxy)piperidin-4-imine
SMILESCCC1(C)CC(=NOCc2ccccc2)C(C)C(C)(CC)N1OCc1ccccc1
InChIInChI=1S/C26H36N2O2/c1-6-25(4)18-24(27-29-19-22-14-10-8-11-15-22)21(3)26(5,7-2)28(25)30-20-23-16-12-9-13-17-23/h8-17,21H,6-7,18-20H2,1-5H3
InChIKeyVQQBBKBPTIRHCA-UHFFFAOYSA-N
MW408.59 g/mol
LogP6.37
Rot. Bonds8

About 2,6-diethyl-2,3,6-trimethyl-N,1-bis(phenylmethoxy)piperidin-4-imine

2,6-diethyl-2,3,6-trimethyl-N,1-bis(phenylmethoxy)piperidin-4-imine (PubChem CID 73446135) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is 2,6-diethyl-2,3,6-trimethyl-N,1-bis(phenylmethoxy)piperidin-4-imine.

Molecular Properties

Compound Name2,6-diethyl-2,3,6-trimethyl-N,1-bis(phenylmethoxy)piperidin-4-imine
PubChem CID73446135
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Name2,6-diethyl-2,3,6-trimethyl-N,1-bis(phenylmethoxy)piperidin-4-imine
SMILESCCC1(C)CC(=NOCc2ccccc2)C(C)C(C)(CC)N1OCc1ccccc1
InChIInChI=1S/C26H36N2O2/c1-6-25(4)18-24(27-29-19-22-14-10-8-11-15-22)21(3)26(5,7-2)28(25)30-20-23-16-12-9-13-17-23/h8-17,21H,6-7,18-20H2,1-5H3
InChIKeyVQQBBKBPTIRHCA-UHFFFAOYSA-N
XLogP6.37
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,6-diethyl-2,3,6-trimethyl-N,1-bis(phenylmethoxy)piperidin-4-imine?
The IUPAC name of 2,6-diethyl-2,3,6-trimethyl-N,1-bis(phenylmethoxy)piperidin-4-imine (CID 73446135) is 2,6-diethyl-2,3,6-trimethyl-N,1-bis(phenylmethoxy)piperidin-4-imine.
What is the SMILES notation for 2,6-diethyl-2,3,6-trimethyl-N,1-bis(phenylmethoxy)piperidin-4-imine?
The canonical SMILES for 2,6-diethyl-2,3,6-trimethyl-N,1-bis(phenylmethoxy)piperidin-4-imine is CCC1(C)CC(=NOCc2ccccc2)C(C)C(C)(CC)N1OCc1ccccc1.
What is the InChIKey of 2,6-diethyl-2,3,6-trimethyl-N,1-bis(phenylmethoxy)piperidin-4-imine?
The InChIKey is VQQBBKBPTIRHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-6-25(4)18-24(27-29-19-22-14-10-8-11-15-22)21(3)26(5,7-2)28(25)30-20-23-16-12-9-13-17-23/h8-17,21H,6-7,18-20H2,1-5H3.
What are the key properties of 2,6-diethyl-2,3,6-trimethyl-N,1-bis(phenylmethoxy)piperidin-4-imine?
2,6-diethyl-2,3,6-trimethyl-N,1-bis(phenylmethoxy)piperidin-4-imine has a molecular weight of 408.59 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-2,3,6-trimethyl-N,1-bis(phenylmethoxy)piperidin-4-imine is sourced from PubChem (CID 73446135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).