Basic information
- Standard SMILES
OC1CCN(c2ccncc2)C1- InChIKey
HHYWFIGUFNRYPN-UHFFFAOYSA-N- Molecular formula
- C9H12N2O
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.09496301
Names & identifiers
- Preferred name
- 1-(Pyridin-4-yl)pyrrolidin-3-ol
- IUPAC
- 1-pyridin-4-ylpyrrolidin-3-ol
- English name
- 1-(pyridin-4-yl)-3-hydroxypyrrolidine
- Molecular formula
- C9H12N2O
- Molecular weight
- 164.2
Names & synonyms
1-(pyridin-4-yl)pyrrolidin-3-ol116721-57-41-pyridin-4-ylpyrrolidin-3-olSCHEMBL5227052DTXSID606198541-(4-Pyridinyl)-3-pyrrolidinolHHYWFIGUFNRYPN-UHFFFAOYSA-N1-(4-pyridyl)-3-hydroxypyrrolidine1-(4-pyridinyl)-3-hydroxypyrrolidine4-(3-hydroxy-1-pyrrolidinyl)pyridineAKOS012214641SB45678
Show more names
3-Pyrrolidinol, 1-(4-pyridinyl)-1-(pyridin-4-yl)-3-hydroxypyrrolidine1-(4-Pyridinyl)-3-pyrrolidinol - [AC80284]
SB46915SB54688DB-060914DB-065381DB-065858F2167-2706
Database identifiers
- CAS
116721-57-4- PubChem CID
- 21906198
- DTXSID
DTXSID60619854
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 327.1 · 327.1±32.0 °C(Predicted)
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- pka
- 14.48 · 14.48±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
15 records
Linked notes
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