Basic information
- CAS
40890-87-7- Standard SMILES
CC1CCN(CN(O)C(=O)c2ccccc2)CC1- InChIKey
VAKFZSOHLDMRCK-UHFFFAOYSA-N- Molecular formula
- C14H20N2O2
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.15247789
Names & identifiers
- Preferred name
- Benzohydroxamic acid, N-(4-methylpiperidino)methyl-
- IUPAC
- N-hydroxy-N-[(4-methylpiperidin-1-yl)methyl]benzamide
- English name
- N-[(4-Methyl-1-piperidinyl)methyl]benzohydroxamic acid
- Molecular formula
- C14H20N2O2
- Molecular weight
- 248.32
Names & synonyms
BRN 1577278BENZOHYDROXAMIC ACID, N-(4-METHYLPIPERIDINO)METHYL-40890-87-7N-(4-Methylpiperidino)methylbenzohydroxamic acidDTXSID80193888RefChem:326502DTXCID20116379N-hydroxy-N-[(4-methylpiperidin-1-yl)methyl]benzamideN-[(4-Methyl-1-piperidinyl)methyl]benzohydroxamic acidBenzamide, N-hydroxy-N-[(4-methyl-1-piperidinyl)methyl]-
Database identifiers
- CAS
40890-87-7- PubChem CID
- 38696
- DTXSID
DTXSID80193888- Nikkaji
- J41.228G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 380.6 · 380.6±44.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- pka
- 8.26 · 8.26±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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