Basic information
- CAS
63916-37-0- Standard SMILES
CCCCN1CCC(OC(=O)CCC)(c2cccnc2)CC1.Cl.Cl- InChIKey
MFTITSKWDGOERL-UHFFFAOYSA-N- Molecular formula
- C18H30Cl2N2O2
- Average molar mass
- 377.3 g/mol
- Monoisotopic mass
- 376.1684336
Names & identifiers
- Preferred name
- 4-Piperidinol, 1-butyl-4-(3-pyridyl)-, butyrate, dihydrochloride
- IUPAC
- (1-butyl-4-pyridin-3-ylpiperidin-4-yl) butanoate;dihydrochloride
Names & synonyms
4-Piperidinol, 1-butyl-4-(3-pyridyl)-, butyrate, dihydrochlorideNU-110563916-37-0DTXSID70213645Butyric acid, 4-(1-butyl-4-(3-pyridyl))piperidyl ester, dihydrochlorideRefChem:295772DTXCID00136136SCHEMBL299089281-Butyl-4-(pyridin-3-yl)piperidin-4-yl butanoate--hydrogen chloride (1/2)
Database identifiers
- CAS
63916-37-0- PubChem CID
- 3048596
- DTXSID
DTXSID70213645
Properties
Computed structural properties
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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