5-(4-Methyl-piperidin-1-yl)-5-oxo-pentanoic acid
Basic information
- CAS
436087-10-4- Standard SMILES
CC1CCN(C(=O)CCCC(=O)O)CC1- InChIKey
QXFCXAYSDLBXPG-UHFFFAOYSA-N- Molecular formula
- C11H19NO3
- Average molar mass
- 213.27 g/mol
- Monoisotopic mass
- 213.13649347
Names & identifiers
- Preferred name
- 5-(4-Methyl-piperidin-1-yl)-5-oxo-pentanoic acid
- IUPAC
- 5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid
- English name
- 5-(4-METHYL-PIPERIDIN-1-YL)-5-OXO-PENTANOIC ACID
- Molecular formula
- C11H19NO3
- Molecular weight
- 213.27
Names & synonyms
436087-10-45-(4-methylpiperidin-1-yl)-5-oxopentanoic acid5-(4-Methyl-piperidin-1-yl)-5-oxo-pentanoic acidMFCD03444932SMR000172248TimTec1_007361Oprea1_768829MLS000547633CHEMBL1718089DTXSID10353776HMS1554O13HMS2563E20
Show more names
1-Piperidinepentanoic acid, 4-methyl-δ-oxo-
AKOS000133516CCG-1141435-(4-methylpiperidyl)-5-oxopentanoic acidDB-196063CS-0327319ST500181365-(4-methylpiperidin-1-yl)-5-oxopentanoicacid5-(4-methyl-1-piperidyl)-5-oxo-pentanoic acid
Database identifiers
- CAS
436087-10-4- PubChem CID
- 752697
- DTXSID
DTXSID10353776- ChEMBL
CHEMBL1718089
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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