2-(4-Methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
Basic information
- CAS
331947-27-4- Standard SMILES
CN1CCN(C(=O)C2CCCCC2C(=O)O)CC1- InChIKey
XKZDSAVFHPKHNV-UHFFFAOYSA-N- Molecular formula
- C13H22N2O3
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.16304257
Names & identifiers
- Preferred name
- 2-(4-Methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
- IUPAC
- 2-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
- English name
- 2-(4-Methyl-piperazine-1-carbonyl)-cyclohexanecarboxylic acid
- Molecular formula
- C13H22N2O3
- Molecular weight
- 254.33
Names & synonyms
331947-27-42-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid2-(4-methylpiperazine-1-carbonyl)cyclohexanecarboxylic acid2-[(4-methylpiperazin-1-yl)carbonyl]cyclohexanecarboxylic acid2-[(4-methylpiperazin-1-yl)carbonyl]cyclohexane-1-carboxylic acidcyclohexanecarboxylic acid, 2-[(4-methyl-1-piperazinyl)carbonyl]-SMR0000973712-[(4-methyl-1-piperazinyl)carbonyl]cyclohexanecarboxylic acidOprea1_425368Oprea1_728432MLS000120506CHEMBL1902205
Show more names
TIMTEC-BB SBB0119852-(4-Methyl-piperazine-1-carbonyl)-cyclohexanecarboxylic acid
SCHEMBL31207070DTXSID70308489HMS1672C22HMS2261M23HMS5233H16ALBB-036026SBB011985STK413391
Database identifiers
- CAS
331947-27-4- PubChem CID
- 306753
- DTXSID
DTXSID70308489- ChEMBL
CHEMBL1902205
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 324
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
Suppliers
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Related reactions
1 records
Compound notes
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