Acetic acid, ((4-methylphenyl)thio)-, 2-(1-piperidinyl)ethyl ester, hydrochloride
Basic information
- CAS
35859-38-2- Standard SMILES
Cc1ccc(SCC(=O)OCCN2CCCCC2)cc1.Cl- InChIKey
BKVBWBDSEDRYRQ-UHFFFAOYSA-N- Molecular formula
- C16H24ClNO2S
- Average molar mass
- 329.9 g/mol
- Monoisotopic mass
- 329.1216279
Names & identifiers
- Preferred name
- Acetic acid, ((4-methylphenyl)thio)-, 2-(1-piperidinyl)ethyl ester, hydrochloride
- IUPAC
- 2-piperidin-1-ylethyl 2-(4-methylphenyl)sulfanylacetate;hydrochloride
Names & synonyms
2-(1-Piperidinyl)ethyl ((4-methylphenyl)thio)acetate hydrochloride35859-38-2Acetic acid, ((4-methylphenyl)thio)-, 2-(1-piperidinyl)ethyl ester, hydrochlorideRefChem:315988DTXSID909572762-(Piperidin-1-yl)ethyl [(4-methylphenyl)sulfanyl]acetate--hydrogen chloride (1/1)
Database identifiers
- CAS
35859-38-2- PubChem CID
- 215586
- DTXSID
DTXSID90957276
Properties
Computed structural properties
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 284
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Compound notes
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