(E,2R,3S,6S)-N-methoxy-2,6-bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-imine

C22H28N2O3 — CID 57401578

IUPAC(E,2R,3S,6S)-N-methoxy-2,6-bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-imine
SMILESCO/N=C1\C[C@@H](c2ccc(OC)cc2)N(C)C(c2ccc(OC)cc2)[C@@H]1C
InChIInChI=1S/C22H28N2O3/c1-15-20(23-27-5)14-21(16-6-10-18(25-3)11-7-16)24(2)22(15)17-8-12-19(26-4)13-9-17/h6-13,15,21-22H,14H2,1-5H3/b23-20+/t15-,21+,22?/m1/s1
InChIKeyQUGYACFPFRVFPQ-WYGLONKISA-N
MW368.48 g/mol
LogP4.46
Rot. Bonds5

About (E,2R,3S,6S)-N-methoxy-2,6-bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-imine

(E,2R,3S,6S)-N-methoxy-2,6-bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-imine (PubChem CID 57401578) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (E,2R,3S,6S)-N-methoxy-2,6-bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-imine.

Molecular Properties

Compound Name(E,2R,3S,6S)-N-methoxy-2,6-bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-imine
PubChem CID57401578
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(E,2R,3S,6S)-N-methoxy-2,6-bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-imine
SMILESCO/N=C1\C[C@@H](c2ccc(OC)cc2)N(C)C(c2ccc(OC)cc2)[C@@H]1C
InChIInChI=1S/C22H28N2O3/c1-15-20(23-27-5)14-21(16-6-10-18(25-3)11-7-16)24(2)22(15)17-8-12-19(26-4)13-9-17/h6-13,15,21-22H,14H2,1-5H3/b23-20+/t15-,21+,22?/m1/s1
InChIKeyQUGYACFPFRVFPQ-WYGLONKISA-N
XLogP4.46
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.46
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,2R,3S,6S)-N-methoxy-2,6-bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-imine?
The IUPAC name of (E,2R,3S,6S)-N-methoxy-2,6-bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-imine (CID 57401578) is (E,2R,3S,6S)-N-methoxy-2,6-bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-imine.
What is the SMILES notation for (E,2R,3S,6S)-N-methoxy-2,6-bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-imine?
The canonical SMILES for (E,2R,3S,6S)-N-methoxy-2,6-bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-imine is CO/N=C1\C[C@@H](c2ccc(OC)cc2)N(C)C(c2ccc(OC)cc2)[C@@H]1C.
What is the InChIKey of (E,2R,3S,6S)-N-methoxy-2,6-bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-imine?
The InChIKey is QUGYACFPFRVFPQ-WYGLONKISA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15-20(23-27-5)14-21(16-6-10-18(25-3)11-7-16)24(2)22(15)17-8-12-19(26-4)13-9-17/h6-13,15,21-22H,14H2,1-5H3/b23-20+/t15-,21+,22?/m1/s1.
What are the key properties of (E,2R,3S,6S)-N-methoxy-2,6-bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-imine?
(E,2R,3S,6S)-N-methoxy-2,6-bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-imine has a molecular weight of 368.48 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S,6S)-N-methoxy-2,6-bis(4-methoxyphenyl)-1,3-dimethylpiperidin-4-imine is sourced from PubChem (CID 57401578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).