2-(1-Piperidinylmethyl)-3-pyridinol
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Basic information
- CAS
2168-16-3- Standard SMILES
Oc1cccnc1CN1CCCCC1- InChIKey
BMRGAJCUJCTATP-UHFFFAOYSA-N- Molecular formula
- C11H16N2O
- Average molar mass
- 192.26 g/mol
- Monoisotopic mass
- 192.12626314
Names & identifiers
- Preferred name
- 2-(1-Piperidinylmethyl)-3-pyridinol
- IUPAC
- 2-(piperidin-1-ylmethyl)pyridin-3-ol
- English name
- 2-(1-Piperidinylmethyl)-3-pyridinol
- Molecular formula
- C11H16N2O
- Molecular weight
- 192.26
Names & synonyms
2168-16-32-(1-piperidinylmethyl)-3-pyridinol3-Pyridinol, 2-(piperidinomethyl)-3-Pyridinol, 2-(1-piperidinylmethyl)-NSC-758773-Hydroxy-2-(piperidinomethyl)pyridineZ0BXB34D35NSC 75877BRN 0146718UNII-Z0BXB34D35DTXSID501760675-22-11-00446 (Beilstein Handbook Reference)
Show more names
2-(piperidinomethyl)pyridin-3-ol2-Piperidinomethyl-3-hydroxypyridine
RefChem:83844DTXCID00985583-Pyridinol, 2-(1-piperidinylmethyl)-(9CI)2-(piperidin-1-ylmethyl)pyridin-3-ol2-(Piperidinomethyl)-3-pyridinolNSC758772-[(piperidin-1-yl)methyl]pyridin-3-olMLS002693962
Database identifiers
- CAS
2168-16-3- PubChem CID
- 96480
- DTXSID
DTXSID50176067- ChEMBL
CHEMBL1437522- UNII
- Z0BXB34D35
- Nikkaji
- J51.353I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 72.5 · 72.5-73.6 °C
- Boiling point
- 95 · 95-97 °C(Press: 0.8 Torr)
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- pka
- 6.46 · 6.46±0.10(Predicted)
- FDA UNII
- 0 BXB34D35 · Z0BXB34D35
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
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Compound notes
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