N-[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]aniline

C20H24FN3 — CID 169382048

IUPACN-[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]aniline
SMILESCC1CCCN(Cc2ccc(C=NNc3ccccc3)cc2F)C1
InChIInChI=1S/C20H24FN3/c1-16-6-5-11-24(14-16)15-18-10-9-17(12-20(18)21)13-22-23-19-7-3-2-4-8-19/h2-4,7-10,12-13,16,23H,5-6,11,14-15H2,1H3
InChIKeyJEQLKJHIBIFCJT-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.50
Rot. Bonds5

About N-[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]aniline

N-[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]aniline (PubChem CID 169382048) has the molecular formula C20H24FN3 and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]aniline
PubChem CID169382048
Molecular FormulaC20H24FN3
Molecular Weight325.43 g/mol
Exact Mass325.20
IUPAC NameN-[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]aniline
SMILESCC1CCCN(Cc2ccc(C=NNc3ccccc3)cc2F)C1
InChIInChI=1S/C20H24FN3/c1-16-6-5-11-24(14-16)15-18-10-9-17(12-20(18)21)13-22-23-19-7-3-2-4-8-19/h2-4,7-10,12-13,16,23H,5-6,11,14-15H2,1H3
InChIKeyJEQLKJHIBIFCJT-UHFFFAOYSA-N
XLogP4.50
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]urea
CID 168532134
[2-fluoro-4-[(phenylhydrazinylidene)methyl]phenyl]methanol
CID 169384111
(E)-3-[3-fluoro-4-[(3-methylpyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 109375318
1-benzyl-3-methylpiperidine
CID 2794856
1-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3-methylpiperidine
CID 169422720
dimethyl 3-[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1-phenylpyrazole-4,5-dicarboxylate
CID 169387952
N-[[4-fluoro-3-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 107453780
(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
CID 144850667
2-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626232
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
N-[[1-[(2-fluorophenyl)methyl]indol-6-yl]methylideneamino]aniline
CID 169383155

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]aniline?
The IUPAC name of N-[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]aniline (CID 169382048) is N-[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]aniline is CC1CCCN(Cc2ccc(C=NNc3ccccc3)cc2F)C1.
What is the InChIKey of N-[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]aniline?
The InChIKey is JEQLKJHIBIFCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3/c1-16-6-5-11-24(14-16)15-18-10-9-17(12-20(18)21)13-22-23-19-7-3-2-4-8-19/h2-4,7-10,12-13,16,23H,5-6,11,14-15H2,1H3.
What are the key properties of N-[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]aniline?
N-[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]aniline has a molecular weight of 325.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).