Basic information
- CAS
118671-48-0- Standard SMILES
CCCC(=O)N1CCCCC1CCCO- InChIKey
AGRCHHXICQZLTB-UHFFFAOYSA-N- Molecular formula
- C12H23NO2
- Average molar mass
- 213.32 g/mol
- Monoisotopic mass
- 213.17287898
Names & identifiers
- Preferred name
- 1-[2-(3-Hydroxypropyl)-1-piperidinyl]-1-butanone
- IUPAC
- 1-[2-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
Names & synonyms
DTXSID1012391841-[2-(3-Hydroxypropyl)-1-piperidinyl]-1-butanone1-[2-(3-Hydroxypropyl)piperidin-1-yl]butan-1-one118671-48-0
Database identifiers
- CAS
118671-48-0- PubChem CID
- 85579002
- DTXSID
DTXSID101239184
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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