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

C14H20FN3O — CID 171068502

IUPAC2-fluoro-4-[(4-methylpiperidin-1-yl)methyl]benzohydrazide
SMILESCC1CCN(Cc2ccc(C(=O)NN)c(F)c2)CC1
InChIInChI=1S/C14H20FN3O/c1-10-4-6-18(7-5-10)9-11-2-3-12(13(15)8-11)14(19)17-16/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19)
InChIKeyGREIYSHQFXZVLC-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.66
Rot. Bonds3

About 2-fluoro-4-[(4-methylpiperidin-1-yl)methyl]benzohydrazide

2-fluoro-4-[(4-methylpiperidin-1-yl)methyl]benzohydrazide (PubChem CID 171068502) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-fluoro-4-[(4-methylpiperidin-1-yl)methyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-4-[(4-methylpiperidin-1-yl)methyl]benzohydrazide
PubChem CID171068502
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-fluoro-4-[(4-methylpiperidin-1-yl)methyl]benzohydrazide
SMILESCC1CCN(Cc2ccc(C(=O)NN)c(F)c2)CC1
InChIInChI=1S/C14H20FN3O/c1-10-4-6-18(7-5-10)9-11-2-3-12(13(15)8-11)14(19)17-16/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19)
InChIKeyGREIYSHQFXZVLC-UHFFFAOYSA-N
XLogP1.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

methyl 2-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]benzoate
CID 103749166
[2-fluoro-5-[(4-methylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 54970710
2-fluoro-4-[(3-hydroxypyrrolidin-1-yl)methyl]benzoic acid
CID 106699274
methyl 2-fluoro-4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoate
CID 103749428
methyl 4-[(4-ethoxypiperidin-1-yl)methyl]-2-fluorobenzoate
CID 103749261
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorobenzoic acid
CID 106699160
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850
4-[(3-acetamidopyrrolidin-1-yl)methyl]-2-fluorobenzoic acid
CID 106699396
methyl 4-[(3-carbamoylpyrrolidin-1-yl)methyl]-2-fluorobenzoate
CID 103749383
methyl 1-[(3,4-difluorophenyl)methyl]piperidine-4-carboxylate
CID 78912325
2,4-difluoro-N-[1-[[4-(methylcarbamoyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 166296875
5-methyl-4-[(4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63569181

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(4-methylpiperidin-1-yl)methyl]benzohydrazide?
The IUPAC name of 2-fluoro-4-[(4-methylpiperidin-1-yl)methyl]benzohydrazide (CID 171068502) is 2-fluoro-4-[(4-methylpiperidin-1-yl)methyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-4-[(4-methylpiperidin-1-yl)methyl]benzohydrazide?
The canonical SMILES for 2-fluoro-4-[(4-methylpiperidin-1-yl)methyl]benzohydrazide is CC1CCN(Cc2ccc(C(=O)NN)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-4-[(4-methylpiperidin-1-yl)methyl]benzohydrazide?
The InChIKey is GREIYSHQFXZVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-10-4-6-18(7-5-10)9-11-2-3-12(13(15)8-11)14(19)17-16/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19).
What are the key properties of 2-fluoro-4-[(4-methylpiperidin-1-yl)methyl]benzohydrazide?
2-fluoro-4-[(4-methylpiperidin-1-yl)methyl]benzohydrazide has a molecular weight of 265.33 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(4-methylpiperidin-1-yl)methyl]benzohydrazide is sourced from PubChem (CID 171068502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).