1-(2-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]piperidin-4-imine

C26H34N4 — CID 72708407

IUPAC1-(2-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]piperidin-4-imine
SMILESc1ccc(CCN2CCC(=NN=C3CCN(CCc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C26H34N4/c1-3-7-23(8-4-1)11-17-29-19-13-25(14-20-29)27-28-26-15-21-30(22-16-26)18-12-24-9-5-2-6-10-24/h1-10H,11-22H2
InChIKeyKAAWUCCXFRGFST-UHFFFAOYSA-N
MW402.59 g/mol
LogP4.46
Rot. Bonds7

About 1-(2-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]piperidin-4-imine

1-(2-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]piperidin-4-imine (PubChem CID 72708407) has the molecular formula C26H34N4 and a molecular weight of 402.59 g/mol. Its IUPAC name is 1-(2-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]piperidin-4-imine.

Molecular Properties

Compound Name1-(2-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]piperidin-4-imine
PubChem CID72708407
Molecular FormulaC26H34N4
Molecular Weight402.59 g/mol
Exact Mass402.28
IUPAC Name1-(2-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]piperidin-4-imine
SMILESc1ccc(CCN2CCC(=NN=C3CCN(CCc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C26H34N4/c1-3-7-23(8-4-1)11-17-29-19-13-25(14-20-29)27-28-26-15-21-30(22-16-26)18-12-24-9-5-2-6-10-24/h1-10H,11-22H2
InChIKeyKAAWUCCXFRGFST-UHFFFAOYSA-N
XLogP4.46
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.59
LogP ≤ 54.46
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 1-(2-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]piperidin-4-imine?
The IUPAC name of 1-(2-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]piperidin-4-imine (CID 72708407) is 1-(2-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]piperidin-4-imine.
What is the SMILES notation for 1-(2-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]piperidin-4-imine?
The canonical SMILES for 1-(2-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]piperidin-4-imine is c1ccc(CCN2CCC(=NN=C3CCN(CCc4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]piperidin-4-imine?
The InChIKey is KAAWUCCXFRGFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4/c1-3-7-23(8-4-1)11-17-29-19-13-25(14-20-29)27-28-26-15-21-30(22-16-26)18-12-24-9-5-2-6-10-24/h1-10H,11-22H2.
What are the key properties of 1-(2-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]piperidin-4-imine?
1-(2-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]piperidin-4-imine has a molecular weight of 402.59 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]piperidin-4-imine is sourced from PubChem (CID 72708407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).