N-(1-benzylpiperidin-4-yl)-1-(2,4-difluorophenyl)methanimine

C19H20F2N2 — CID 155560617

IUPACN-(1-benzylpiperidin-4-yl)-1-(2,4-difluorophenyl)methanimine
SMILESFc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C19H20F2N2/c20-17-7-6-16(19(21)12-17)13-22-18-8-10-23(11-9-18)14-15-4-2-1-3-5-15/h1-7,12-13,18H,8-11,14H2/b22-13+
InChIKeyANHVBBGBJUVDKT-LPYMAVHISA-N
MW314.38 g/mol
LogP4.05
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-1-(2,4-difluorophenyl)methanimine

N-(1-benzylpiperidin-4-yl)-1-(2,4-difluorophenyl)methanimine (PubChem CID 155560617) has the molecular formula C19H20F2N2 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-(2,4-difluorophenyl)methanimine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-(2,4-difluorophenyl)methanimine
PubChem CID155560617
Molecular FormulaC19H20F2N2
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-(2,4-difluorophenyl)methanimine
SMILESFc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C19H20F2N2/c20-17-7-6-16(19(21)12-17)13-22-18-8-10-23(11-9-18)14-15-4-2-1-3-5-15/h1-7,12-13,18H,8-11,14H2/b22-13+
InChIKeyANHVBBGBJUVDKT-LPYMAVHISA-N
XLogP4.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.05
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-(2,4-difluorophenyl)methanimine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(2,4-difluorophenyl)methanimine (CID 155560617) is N-(1-benzylpiperidin-4-yl)-1-(2,4-difluorophenyl)methanimine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-(2,4-difluorophenyl)methanimine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-(2,4-difluorophenyl)methanimine is Fc1ccc(/C=N/C2CCN(Cc3ccccc3)CC2)c(F)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-(2,4-difluorophenyl)methanimine?
The InChIKey is ANHVBBGBJUVDKT-LPYMAVHISA-N. The full InChI is InChI=1S/C19H20F2N2/c20-17-7-6-16(19(21)12-17)13-22-18-8-10-23(11-9-18)14-15-4-2-1-3-5-15/h1-7,12-13,18H,8-11,14H2/b22-13+.
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-(2,4-difluorophenyl)methanimine?
N-(1-benzylpiperidin-4-yl)-1-(2,4-difluorophenyl)methanimine has a molecular weight of 314.38 g/mol, XLogP of 4.05, 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-(2,4-difluorophenyl)methanimine is sourced from PubChem (CID 155560617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).