4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide

C16H25N3O2 — CID 63569886

IUPAC4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide
SMILESCC1CC(C)CN(CCOc2ccc(C(=O)NN)cc2)C1
InChIInChI=1S/C16H25N3O2/c1-12-9-13(2)11-19(10-12)7-8-21-15-5-3-14(4-6-15)16(20)18-17/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyHLRFDTRYDBKMCE-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.65
Rot. Bonds5

About 4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide

4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide (PubChem CID 63569886) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide.

Molecular Properties

Compound Name4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide
PubChem CID63569886
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide
SMILESCC1CC(C)CN(CCOc2ccc(C(=O)NN)cc2)C1
InChIInChI=1S/C16H25N3O2/c1-12-9-13(2)11-19(10-12)7-8-21-15-5-3-14(4-6-15)16(20)18-17/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyHLRFDTRYDBKMCE-UHFFFAOYSA-N
XLogP1.65
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.65
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

1-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]ethanone
CID 7380342
4-[2-(4-methylazepan-1-yl)ethoxy]benzohydrazide
CID 63625792
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
methyl 4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]benzoate
CID 23150262
4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299047
1-[4-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]butoxy]phenyl]ethanone
CID 7380050
2-bromo-N-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methylpropanamide
CID 100691005
(2R)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide
CID 100693894
(2S)-N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-2-methoxy-2-methylbutanamide
CID 100693908
3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine
CID 23150286
1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121719
4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
CID 63575751

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide?
The IUPAC name of 4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide (CID 63569886) is 4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide.
What is the SMILES notation for 4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide?
The canonical SMILES for 4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide is CC1CC(C)CN(CCOc2ccc(C(=O)NN)cc2)C1.
What is the InChIKey of 4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide?
The InChIKey is HLRFDTRYDBKMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-9-13(2)11-19(10-12)7-8-21-15-5-3-14(4-6-15)16(20)18-17/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20).
What are the key properties of 4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide?
4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide has a molecular weight of 291.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide is sourced from PubChem (CID 63569886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).