4-(Piperidin-1-yl)cyclohexyl butanoate--hydrogen chloride (1/1)
Basic information
- CAS
1702-16-5- Standard SMILES
CCCC(=O)OC1CCC([NH+]2CCCCC2)CC1.[Cl-]- InChIKey
ZHPFAGYJSHHQBB-UHFFFAOYSA-N- Molecular formula
- C15H28ClNO2
- Average molar mass
- 289.84 g/mol
- Monoisotopic mass
- 289.1808568
Names & identifiers
- Preferred name
- 4-(Piperidin-1-yl)cyclohexyl butanoate--hydrogen chloride (1/1)
- IUPAC
- (4-piperidin-1-ium-1-ylcyclohexyl) butanoate chloride
Names & synonyms
1702-16-5DTXSID809377444-(Piperidin-1-yl)cyclohexyl butanoate--hydrogen chloride (1/1)RefChem:1070181DTXCID201366297BUTYRIC ACID, 4-PIPERIDINOCYCLOHEXYL ESTER, HYDROCHLORIDEButanoic acid, 4-(1-piperidinyl)cyclohexyl ester, hydrochloride
Database identifiers
- CAS
1702-16-5- PubChem CID
- 15552
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 253
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Compound notes
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