3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide

C15H22FN3O — CID 107458588

IUPAC3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
SMILESCCC1CCN(Cc2cc(C(=O)NN)ccc2F)CC1
InChIInChI=1S/C15H22FN3O/c1-2-11-5-7-19(8-6-11)10-13-9-12(15(20)18-17)3-4-14(13)16/h3-4,9,11H,2,5-8,10,17H2,1H3,(H,18,20)
InChIKeyXCBMQLKAVHPUBL-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.05
Rot. Bonds4

About 3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide

3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide (PubChem CID 107458588) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound Name3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
PubChem CID107458588
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
SMILESCCC1CCN(Cc2cc(C(=O)NN)ccc2F)CC1
InChIInChI=1S/C15H22FN3O/c1-2-11-5-7-19(8-6-11)10-13-9-12(15(20)18-17)3-4-14(13)16/h3-4,9,11H,2,5-8,10,17H2,1H3,(H,18,20)
InChIKeyXCBMQLKAVHPUBL-UHFFFAOYSA-N
XLogP2.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.05
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

3-[(4-ethylpiperidin-1-yl)methyl]benzohydrazide
CID 63577694
4-fluoro-3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 107452202
3-bromo-4-[(4-propylpiperidin-1-yl)methyl]benzohydrazide
CID 102774559
3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458460
4-fluoro-3-[(2-propylpiperidin-1-yl)methyl]benzohydrazide
CID 107458723
1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107453627
3-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107459005
5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63578224
4-[(4-ethylpiperidin-1-yl)methyl]-3-fluorobenzenecarbothioamide
CID 61421248
3-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-fluorobenzoic acid
CID 63068446
3-[(2,3-dimethylthiomorpholin-4-yl)methyl]-4-fluorobenzohydrazide
CID 107458745
3-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458852

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide?
The IUPAC name of 3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide (CID 107458588) is 3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide.
What is the SMILES notation for 3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide?
The canonical SMILES for 3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide is CCC1CCN(Cc2cc(C(=O)NN)ccc2F)CC1.
What is the InChIKey of 3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide?
The InChIKey is XCBMQLKAVHPUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-11-5-7-19(8-6-11)10-13-9-12(15(20)18-17)3-4-14(13)16/h3-4,9,11H,2,5-8,10,17H2,1H3,(H,18,20).
What are the key properties of 3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide?
3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide has a molecular weight of 279.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 107458588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).