3-Piperidin-1-ylpropyl 2-ethyl-2-methylhexanoate
Basic information
- CAS
32051-68-6- Standard SMILES
CCCCC(C)(CC)C(=O)OCCCN1CCCCC1- InChIKey
BFQVQBCLVWGWNC-UHFFFAOYSA-N- Molecular formula
- C17H33NO2
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.2511293
Names & identifiers
- Preferred name
- 3-Piperidin-1-ylpropyl 2-ethyl-2-methylhexanoate
- IUPAC
- 3-piperidin-1-ylpropyl 2-ethyl-2-methylhexanoate
- English name
- 2-Ethyl-2-methylhexanoic acid 3-piperidinopropyl ester
- Molecular formula
- C17H33NO2
- Molecular weight
- 283.45
Names & synonyms
32051-68-63-piperidin-1-ylpropyl 2-ethyl-2-methylhexanoate2-Ethyl-2-methylhexanoic acid 3-piperidinopropyl ester3-(piperidin-1-yl)propyl 2-ethyl-2-methylhexanoateDTXSID30275380DB-260987Hexanoic acid, 2-ethyl-2-methyl-, 3-(1-piperidinyl)propyl ester
Database identifiers
- CAS
32051-68-6- PubChem CID
- 36051
- DTXSID
DTXSID30275380- Nikkaji
- J49.416J
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 368.4 · 368.4±25.0 °C(Predicted)
- Density
- 0.933 · 0.933±0.06 g/cm3(Predicted)
- pka
- 9.13 · 9.13±0.10(Predicted)
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Compound notes
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