(E)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine

C27H30N2O — CID 45269553

IUPAC(E)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine
SMILESCC(C)C1/C(=N/OCc2ccccc2)CC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C27H30N2O/c1-20(2)26-25(29-30-19-21-12-6-3-7-13-21)18-24(22-14-8-4-9-15-22)28-27(26)23-16-10-5-11-17-23/h3-17,20,24,26-28H,18-19H2,1-2H3/b29-25+
InChIKeyDPGZQBXBTVGXHI-XLVZBRSZSA-N
MW398.55 g/mol
LogP6.31
Rot. Bonds6

About (E)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine

(E)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine (PubChem CID 45269553) has the molecular formula C27H30N2O and a molecular weight of 398.55 g/mol. Its IUPAC name is (E)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine.

Molecular Properties

Compound Name(E)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine
PubChem CID45269553
Molecular FormulaC27H30N2O
Molecular Weight398.55 g/mol
Exact Mass398.24
IUPAC Name(E)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine
SMILESCC(C)C1/C(=N/OCc2ccccc2)CC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C27H30N2O/c1-20(2)26-25(29-30-19-21-12-6-3-7-13-21)18-24(22-14-8-4-9-15-22)28-27(26)23-16-10-5-11-17-23/h3-17,20,24,26-28H,18-19H2,1-2H3/b29-25+
InChIKeyDPGZQBXBTVGXHI-XLVZBRSZSA-N
XLogP6.31
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 56.31
H-Bond Donors ≤ 51
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)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine?
The IUPAC name of (E)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine (CID 45269553) is (E)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine.
What is the SMILES notation for (E)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine?
The canonical SMILES for (E)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine is CC(C)C1/C(=N/OCc2ccccc2)CC(c2ccccc2)NC1c1ccccc1.
What is the InChIKey of (E)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine?
The InChIKey is DPGZQBXBTVGXHI-XLVZBRSZSA-N. The full InChI is InChI=1S/C27H30N2O/c1-20(2)26-25(29-30-19-21-12-6-3-7-13-21)18-24(22-14-8-4-9-15-22)28-27(26)23-16-10-5-11-17-23/h3-17,20,24,26-28H,18-19H2,1-2H3/b29-25+.
What are the key properties of (E)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine?
(E)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine has a molecular weight of 398.55 g/mol, XLogP of 6.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6-diphenyl-N-phenylmethoxy-3-propan-2-ylpiperidin-4-imine is sourced from PubChem (CID 45269553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).