(2-Bromophenyl)(2-methyl-1-piperidinyl)methanone
Basic information
- CAS
331845-67-1- Standard SMILES
CC1CCCCN1C(=O)c1ccccc1Br- InChIKey
AEDZCWXMCXJZAB-UHFFFAOYSA-N- Molecular formula
- C13H16BrNO
- Average molar mass
- 282.18 g/mol
- Monoisotopic mass
- 281.04153
Names & identifiers
- Preferred name
- (2-Bromophenyl)(2-methyl-1-piperidinyl)methanone
- IUPAC
- (2-bromophenyl)-(2-methylpiperidin-1-yl)methanone
- English name
- 1-[(2-bromophenyl)carbonyl]-2-methylpiperidine
- Molecular formula
- C13H16BrNO
- Molecular weight
- 282.18
Names & synonyms
331845-67-1(2-Bromophenyl)(2-methyl-1-piperidinyl)methanoneRefChem:2058511-[(2-bromophenyl)carbonyl]-2-methylpiperidine(2-bromophenyl)(2-methylpiperidin-1-yl)methanone(2-bromophenyl)-(2-methylpiperidin-1-yl)methanoneAEDZCWXMCXJZAB-UHFFFAOYSA-NDTXSID201238234STK0672532-bromophenyl 2-methylpiperidyl ketoneAKOS000179206AKOS016609250
Show more names
1-(2-Bromobenzoyl)-2-methylpiperidine #ST50691270AG-690/11633896(2-Bromophenyl)-(2-methylpiperidin-1-yl)-methanoneMethanone, (2-bromophenyl)(2-methyl-1-piperidinyl)-Z27067721
Database identifiers
- CAS
331845-67-1- PubChem CID
- 603882
- DTXSID
DTXSID201238234
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 384.5 · 384.5±25.0 °C(Predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- pka
- -1.36 · -1.36±0.40(Predicted)
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Compound notes
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