N-(4-methylphenyl)-2,2-diphenyl-1-piperazin-1-ylethanimine

C25H27N3 — CID 21236535

IUPACN-(4-methylphenyl)-2,2-diphenyl-1-piperazin-1-ylethanimine
SMILESCc1ccc(/N=C(/C(c2ccccc2)c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C25H27N3/c1-20-12-14-23(15-13-20)27-25(28-18-16-26-17-19-28)24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,24,26H,16-19H2,1H3/b27-25-
InChIKeyRCJLOSASASEQBG-RFBIWTDZSA-N
MW369.51 g/mol
LogP4.76
Rot. Bonds4

About N-(4-methylphenyl)-2,2-diphenyl-1-piperazin-1-ylethanimine

N-(4-methylphenyl)-2,2-diphenyl-1-piperazin-1-ylethanimine (PubChem CID 21236535) has the molecular formula C25H27N3 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-2,2-diphenyl-1-piperazin-1-ylethanimine.

Molecular Properties

Compound NameN-(4-methylphenyl)-2,2-diphenyl-1-piperazin-1-ylethanimine
PubChem CID21236535
Molecular FormulaC25H27N3
Molecular Weight369.51 g/mol
Exact Mass369.22
IUPAC NameN-(4-methylphenyl)-2,2-diphenyl-1-piperazin-1-ylethanimine
SMILESCc1ccc(/N=C(/C(c2ccccc2)c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C25H27N3/c1-20-12-14-23(15-13-20)27-25(28-18-16-26-17-19-28)24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,24,26H,16-19H2,1H3/b27-25-
InChIKeyRCJLOSASASEQBG-RFBIWTDZSA-N
XLogP4.76
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2,2-diphenyl-1-piperazin-1-ylethanimine?
The IUPAC name of N-(4-methylphenyl)-2,2-diphenyl-1-piperazin-1-ylethanimine (CID 21236535) is N-(4-methylphenyl)-2,2-diphenyl-1-piperazin-1-ylethanimine.
What is the SMILES notation for N-(4-methylphenyl)-2,2-diphenyl-1-piperazin-1-ylethanimine?
The canonical SMILES for N-(4-methylphenyl)-2,2-diphenyl-1-piperazin-1-ylethanimine is Cc1ccc(/N=C(/C(c2ccccc2)c2ccccc2)N2CCNCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2,2-diphenyl-1-piperazin-1-ylethanimine?
The InChIKey is RCJLOSASASEQBG-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H27N3/c1-20-12-14-23(15-13-20)27-25(28-18-16-26-17-19-28)24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,24,26H,16-19H2,1H3/b27-25-.
What are the key properties of N-(4-methylphenyl)-2,2-diphenyl-1-piperazin-1-ylethanimine?
N-(4-methylphenyl)-2,2-diphenyl-1-piperazin-1-ylethanimine has a molecular weight of 369.51 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2,2-diphenyl-1-piperazin-1-ylethanimine is sourced from PubChem (CID 21236535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).