N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine

C20H21F3N2O — CID 155520717

IUPACN-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine
SMILESFC(F)(F)Oc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)26-19-8-6-16(7-9-19)14-24-18-10-12-25(13-11-18)15-17-4-2-1-3-5-17/h1-9,14,18H,10-13,15H2/b24-14+
InChIKeyQOHKCTPBTRSARF-ZVHZXABRSA-N
MW362.40 g/mol
LogP4.67
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine

N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine (PubChem CID 155520717) has the molecular formula C20H21F3N2O and a molecular weight of 362.40 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine
PubChem CID155520717
Molecular FormulaC20H21F3N2O
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine
SMILESFC(F)(F)Oc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H21F3N2O/c21-20(22,23)26-19-8-6-16(7-9-19)14-24-18-10-12-25(13-11-18)15-17-4-2-1-3-5-17/h1-9,14,18H,10-13,15H2/b24-14+
InChIKeyQOHKCTPBTRSARF-ZVHZXABRSA-N
XLogP4.67
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine (CID 155520717) is N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine is FC(F)(F)Oc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine?
The InChIKey is QOHKCTPBTRSARF-ZVHZXABRSA-N. The full InChI is InChI=1S/C20H21F3N2O/c21-20(22,23)26-19-8-6-16(7-9-19)14-24-18-10-12-25(13-11-18)15-17-4-2-1-3-5-17/h1-9,14,18H,10-13,15H2/b24-14+.
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine?
N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine has a molecular weight of 362.40 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]methanimine is sourced from PubChem (CID 155520717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).