(E,2R,3S,6S)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxy-1-prop-2-enylpiperidin-4-imine

C30H34N2O — CID 71453286

IUPAC(E,2R,3S,6S)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxy-1-prop-2-enylpiperidin-4-imine
SMILESC=CCN1[C@H](c2ccc(C)cc2)C/C(=N\OCc2ccccc2)[C@@H](C)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C30H34N2O/c1-5-19-32-29(26-15-11-22(2)12-16-26)20-28(31-33-21-25-9-7-6-8-10-25)24(4)30(32)27-17-13-23(3)14-18-27/h5-18,24,29-30H,1,19-21H2,2-4H3/b31-28+/t24-,29+,30-/m1/s1
InChIKeyRVTJWSOSJOUQSX-JXYDWYSRSA-N
MW438.62 g/mol
LogP7.19
Rot. Bonds7

About (E,2R,3S,6S)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxy-1-prop-2-enylpiperidin-4-imine

(E,2R,3S,6S)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxy-1-prop-2-enylpiperidin-4-imine (PubChem CID 71453286) has the molecular formula C30H34N2O and a molecular weight of 438.62 g/mol. Its IUPAC name is (E,2R,3S,6S)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxy-1-prop-2-enylpiperidin-4-imine.

Molecular Properties

Compound Name(E,2R,3S,6S)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxy-1-prop-2-enylpiperidin-4-imine
PubChem CID71453286
Molecular FormulaC30H34N2O
Molecular Weight438.62 g/mol
Exact Mass438.27
IUPAC Name(E,2R,3S,6S)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxy-1-prop-2-enylpiperidin-4-imine
SMILESC=CCN1[C@H](c2ccc(C)cc2)C/C(=N\OCc2ccccc2)[C@@H](C)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C30H34N2O/c1-5-19-32-29(26-15-11-22(2)12-16-26)20-28(31-33-21-25-9-7-6-8-10-25)24(4)30(32)27-17-13-23(3)14-18-27/h5-18,24,29-30H,1,19-21H2,2-4H3/b31-28+/t24-,29+,30-/m1/s1
InChIKeyRVTJWSOSJOUQSX-JXYDWYSRSA-N
XLogP7.19
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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,2R,3S,6S)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxy-1-prop-2-enylpiperidin-4-imine?
The IUPAC name of (E,2R,3S,6S)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxy-1-prop-2-enylpiperidin-4-imine (CID 71453286) is (E,2R,3S,6S)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxy-1-prop-2-enylpiperidin-4-imine.
What is the SMILES notation for (E,2R,3S,6S)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxy-1-prop-2-enylpiperidin-4-imine?
The canonical SMILES for (E,2R,3S,6S)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxy-1-prop-2-enylpiperidin-4-imine is C=CCN1[C@H](c2ccc(C)cc2)C/C(=N\OCc2ccccc2)[C@@H](C)[C@@H]1c1ccc(C)cc1.
What is the InChIKey of (E,2R,3S,6S)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxy-1-prop-2-enylpiperidin-4-imine?
The InChIKey is RVTJWSOSJOUQSX-JXYDWYSRSA-N. The full InChI is InChI=1S/C30H34N2O/c1-5-19-32-29(26-15-11-22(2)12-16-26)20-28(31-33-21-25-9-7-6-8-10-25)24(4)30(32)27-17-13-23(3)14-18-27/h5-18,24,29-30H,1,19-21H2,2-4H3/b31-28+/t24-,29+,30-/m1/s1.
What are the key properties of (E,2R,3S,6S)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxy-1-prop-2-enylpiperidin-4-imine?
(E,2R,3S,6S)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxy-1-prop-2-enylpiperidin-4-imine has a molecular weight of 438.62 g/mol, XLogP of 7.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S,6S)-3-methyl-2,6-bis(4-methylphenyl)-N-phenylmethoxy-1-prop-2-enylpiperidin-4-imine is sourced from PubChem (CID 71453286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).