Basic information
- CAS
2128-78-1- Standard SMILES
OC(C#CCN1CCCC1)(c1ccccc1)c1cccnc1- InChIKey
QVAPLHWCWZKASO-UHFFFAOYSA-N- Molecular formula
- C19H20N2O
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.15756327
Names & identifiers
- Preferred name
- 3-Pyridinemethanol, alpha-phenyl-alpha-(3-(1-pyrrolidinyl)-1-propynyl)-
- IUPAC
- 1-phenyl-1-pyridin-3-yl-4-pyrrolidin-1-ylbut-2-yn-1-ol
Names & synonyms
2128-78-13-Pyridinemethanol, alpha-phenyl-alpha-(3-(1-pyrrolidinyl)-1-propynyl)-RefChem:1068715MLS0007671781-phenyl-1-(pyridin-3-yl)-4-(pyrrolidin-1-yl)but-2-yn-1-ol1-phenyl-1-(3-pyridinyl)-4-(1-pyrrolidinyl)-2-butyn-1-olSMR000429452BRN 0424071Opera_ID_1883alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)-1-propynyl)-3-pyridinemethanolCambridge id 6812734Oprea1_124605
Show more names
CHEMBL14630721-phenyl-1-pyridin-3-yl-4-pyrrolidin-1-ylbut-2-yn-1-olDTXSID20943783HMS2810D04STK537070AKOS005468083NCGC00246462-01AB00120141-01
Database identifiers
- CAS
2128-78-1- PubChem CID
- 200481
- DTXSID
DTXSID20943783- ChEMBL
CHEMBL1463072- Nikkaji
- J545.117E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 412
Experimental & physicochemical properties
Solubility>43.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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