4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide

C15H23FN4O — CID 107458463

IUPAC4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide
SMILESCN1CCCC(N(C)Cc2cc(C(=O)NN)ccc2F)C1
InChIInChI=1S/C15H23FN4O/c1-19-7-3-4-13(10-19)20(2)9-12-8-11(15(21)18-17)5-6-14(12)16/h5-6,8,13H,3-4,7,9-10,17H2,1-2H3,(H,18,21)
InChIKeyVBFDUILVVRVJGB-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.96
Rot. Bonds4

About 4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide

4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide (PubChem CID 107458463) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide
PubChem CID107458463
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide
SMILESCN1CCCC(N(C)Cc2cc(C(=O)NN)ccc2F)C1
InChIInChI=1S/C15H23FN4O/c1-19-7-3-4-13(10-19)20(2)9-12-8-11(15(21)18-17)5-6-14(12)16/h5-6,8,13H,3-4,7,9-10,17H2,1-2H3,(H,18,21)
InChIKeyVBFDUILVVRVJGB-UHFFFAOYSA-N
XLogP0.96
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-4-fluorobenzohydrazide
CID 107458448
3-fluoro-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 62547662
N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79583035
methyl 3-bromo-4-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzoate
CID 102767577
3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458515
1-(4-chlorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547145
3-[[ethyl(methyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458406
3-[[cyclopropyl(2-methylpropyl)amino]methyl]-4-fluorobenzohydrazide
CID 107458520
4-fluoro-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzonitrile
CID 107902822
3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458588
1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547329
2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]propanehydrazide
CID 63572438

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide?
The IUPAC name of 4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide (CID 107458463) is 4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide?
The canonical SMILES for 4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide is CN1CCCC(N(C)Cc2cc(C(=O)NN)ccc2F)C1.
What is the InChIKey of 4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide?
The InChIKey is VBFDUILVVRVJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-19-7-3-4-13(10-19)20(2)9-12-8-11(15(21)18-17)5-6-14(12)16/h5-6,8,13H,3-4,7,9-10,17H2,1-2H3,(H,18,21).
What are the key properties of 4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide?
4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide has a molecular weight of 294.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]benzohydrazide is sourced from PubChem (CID 107458463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).