2-Methyl-1-[2-(pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one
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Basic information
- CAS
31938-53-1- Standard SMILES
C=C(C)C(=O)N1CCCCC1c1cccnc1- InChIKey
AQNZWMXDMYPJIY-UHFFFAOYSA-N- Molecular formula
- C14H18N2O
- Average molar mass
- 230.31 g/mol
- Monoisotopic mass
- 230.1419132
Names & identifiers
- Preferred name
- 2-Methyl-1-[2-(pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one
- IUPAC
- 2-methyl-1-(2-pyridin-3-ylpiperidin-1-yl)prop-2-en-1-one
- English name
- P-N-Maa
- Molecular formula
- C42H56N6O3X2
- Molecular weight
- 230.31
Names & synonyms
31938-53-1P-N-Maa2-methyl-1-[2-(pyridin-3-yl)piperidin-1-yl]prop-2-en-1-oneDTXSID70953837alpha-[(methylnitrosoamino)methyl]-Benzenemethanol
Database identifiers
- CAS
31938-53-1- PubChem CID
- 208294
- DTXSID
DTXSID70953837- Nikkaji
- J849.767B
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
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Compound notes
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