Valeric acid, 4-piperidinocyclohexyl ester, hydrochloride
Basic information
- CAS
1532-03-2- Standard SMILES
CCCCC(=O)OC1CCC(N2CCCCC2)CC1.Cl- InChIKey
XFMGOOJNYYGCSU-UHFFFAOYSA-N- Molecular formula
- C16H30ClNO2
- Average molar mass
- 303.9 g/mol
- Monoisotopic mass
- 303.1965069
Names & identifiers
- Preferred name
- Valeric acid, 4-piperidinocyclohexyl ester, hydrochloride
- IUPAC
- (4-piperidin-1-ylcyclohexyl) pentanoate;hydrochloride
Names & synonyms
Valeric acid, 4-piperidinocyclohexyl ester, hydrochloride4-Piperidinocyclohexyl valerate hydrochloride1532-03-2DTXSID50165274Pentanoic acid, 4-(1-piperidinyl)cyclohexyl ester, hydrochlorideRefChem:388294DTXCID20877654-(Piperidin-1-yl)cyclohexyl pentanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
1532-03-2- PubChem CID
- 200341
- DTXSID
DTXSID50165274
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 266
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Compound notes
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