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

C20H21F3N2 — CID 155561050

IUPACN-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H21F3N2/c21-20(22,23)18-8-6-16(7-9-18)14-24-19-10-12-25(13-11-19)15-17-4-2-1-3-5-17/h1-9,14,19H,10-13,15H2/b24-14+
InChIKeyAXJYQEFCPXMBGY-ZVHZXABRSA-N
MW346.40 g/mol
LogP4.79
Rot. Bonds4

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

N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 155561050) has the molecular formula C20H21F3N2 and a molecular weight of 346.40 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID155561050
Molecular FormulaC20H21F3N2
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H21F3N2/c21-20(22,23)18-8-6-16(7-9-18)14-24-19-10-12-25(13-11-19)15-17-4-2-1-3-5-17/h1-9,14,19H,10-13,15H2/b24-14+
InChIKeyAXJYQEFCPXMBGY-ZVHZXABRSA-N
XLogP4.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.79
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-benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine (CID 155561050) is N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is AXJYQEFCPXMBGY-ZVHZXABRSA-N. The full InChI is InChI=1S/C20H21F3N2/c21-20(22,23)18-8-6-16(7-9-18)14-24-19-10-12-25(13-11-19)15-17-4-2-1-3-5-17/h1-9,14,19H,10-13,15H2/b24-14+.
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine?
N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 346.40 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 155561050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).