N,1-dibenzyl-2,5-dimethylpiperidin-4-imine

C21H26N2 — CID 15141604

IUPACN,1-dibenzyl-2,5-dimethylpiperidin-4-imine
SMILESCC1CN(Cc2ccccc2)C(C)C/C1=N\Cc1ccccc1
InChIInChI=1S/C21H26N2/c1-17-15-23(16-20-11-7-4-8-12-20)18(2)13-21(17)22-14-19-9-5-3-6-10-19/h3-12,17-18H,13-16H2,1-2H3/b22-21+
InChIKeyQJGURNLDGHIBMO-QURGRASLSA-N
MW306.45 g/mol
LogP4.56
Rot. Bonds4

About N,1-dibenzyl-2,5-dimethylpiperidin-4-imine

N,1-dibenzyl-2,5-dimethylpiperidin-4-imine (PubChem CID 15141604) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N,1-dibenzyl-2,5-dimethylpiperidin-4-imine.

Molecular Properties

Compound NameN,1-dibenzyl-2,5-dimethylpiperidin-4-imine
PubChem CID15141604
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC NameN,1-dibenzyl-2,5-dimethylpiperidin-4-imine
SMILESCC1CN(Cc2ccccc2)C(C)C/C1=N\Cc1ccccc1
InChIInChI=1S/C21H26N2/c1-17-15-23(16-20-11-7-4-8-12-20)18(2)13-21(17)22-14-19-9-5-3-6-10-19/h3-12,17-18H,13-16H2,1-2H3/b22-21+
InChIKeyQJGURNLDGHIBMO-QURGRASLSA-N
XLogP4.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,1-dibenzyl-2,5-dimethylpiperidin-4-imine?
The IUPAC name of N,1-dibenzyl-2,5-dimethylpiperidin-4-imine (CID 15141604) is N,1-dibenzyl-2,5-dimethylpiperidin-4-imine.
What is the SMILES notation for N,1-dibenzyl-2,5-dimethylpiperidin-4-imine?
The canonical SMILES for N,1-dibenzyl-2,5-dimethylpiperidin-4-imine is CC1CN(Cc2ccccc2)C(C)C/C1=N\Cc1ccccc1.
What is the InChIKey of N,1-dibenzyl-2,5-dimethylpiperidin-4-imine?
The InChIKey is QJGURNLDGHIBMO-QURGRASLSA-N. The full InChI is InChI=1S/C21H26N2/c1-17-15-23(16-20-11-7-4-8-12-20)18(2)13-21(17)22-14-19-9-5-3-6-10-19/h3-12,17-18H,13-16H2,1-2H3/b22-21+.
What are the key properties of N,1-dibenzyl-2,5-dimethylpiperidin-4-imine?
N,1-dibenzyl-2,5-dimethylpiperidin-4-imine has a molecular weight of 306.45 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzyl-2,5-dimethylpiperidin-4-imine is sourced from PubChem (CID 15141604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).