(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methanimine

C13H16F2N2 — CID 89080293

IUPAC(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methanimine
SMILES[H]/N=C(/c1ccc(F)cc1F)C1CCN(C)CC1
InChIInChI=1S/C13H16F2N2/c1-17-6-4-9(5-7-17)13(16)11-3-2-10(14)8-12(11)15/h2-3,8-9,16H,4-7H2,1H3/b16-13+
InChIKeyJPPVFQVMGLDDIZ-DTQAZKPQSA-N
MW238.28 g/mol
LogP2.67
Rot. Bonds2

About (2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methanimine

(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methanimine (PubChem CID 89080293) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methanimine.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methanimine
PubChem CID89080293
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methanimine
SMILES[H]/N=C(/c1ccc(F)cc1F)C1CCN(C)CC1
InChIInChI=1S/C13H16F2N2/c1-17-6-4-9(5-7-17)13(16)11-3-2-10(14)8-12(11)15/h2-3,8-9,16H,4-7H2,1H3/b16-13+
InChIKeyJPPVFQVMGLDDIZ-DTQAZKPQSA-N
XLogP2.67
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-Fluorobenzyl)-1-methylpiperidine
CID 14947166
2,4-Difluorophenyl 4-Piperidinyl Ketoxime
CID 57352713
cis-C-(2-Methyl-1-piperidin-1-yl-cyclohexyl)-C-phenyl-methyleneamine
CID 44322201
C-Phenyl-C-(1-piperidin-1-yl-cyclohexyl)-methyleneamine
CID 15048602
Piperidine, 1-(1-benzimidoyl-1-methylethyl)-, monohydrochloride
CID 204432
4,4-Diphenyl-6-(piperidin-1-yl)hexan-3-imine
CID 3050617
(E)-4-(2,4-Difluorobenzoyl)piperidine Oxime
CID 11379457
(Z)-(2,4-Difluorophenyl)piperidin-4-ylmethanone oxime monohydrochloride
CID 11543663
Methanone, (2,4-difluorophenyl)-4-piperidinyl-, oxime, hydrochloride (1:1)
CID 57357481
1-Ethyl-4-[(4-fluorophenyl)methyl]piperidine
CID 134154427
(2,4-Difluorophenyl)-4-piperidinylmethanone oxime, (Z)-
CID 10040437
4-(4-Fluorophenyl)-1-methylpiperidine
CID 11694068

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methanimine?
The IUPAC name of (2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methanimine (CID 89080293) is (2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methanimine.
What is the SMILES notation for (2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methanimine?
The canonical SMILES for (2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methanimine is [H]/N=C(/c1ccc(F)cc1F)C1CCN(C)CC1.
What is the InChIKey of (2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methanimine?
The InChIKey is JPPVFQVMGLDDIZ-DTQAZKPQSA-N. The full InChI is InChI=1S/C13H16F2N2/c1-17-6-4-9(5-7-17)13(16)11-3-2-10(14)8-12(11)15/h2-3,8-9,16H,4-7H2,1H3/b16-13+.
What are the key properties of (2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methanimine?
(2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methanimine has a molecular weight of 238.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(1-methylpiperidin-4-yl)methanimine is sourced from PubChem (CID 89080293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).