3-Pyridinol, 5-benzyl-2-(piperidinomethyl)-

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Basic information

CAS: 52196-85-7
Standard SMILES: Oc1cc(Cc2ccccc2)cnc1CN1CCCCC1
InChIKey: LWCZNOISFRHDQU-UHFFFAOYSA-N
Molecular formula: C18H22N2O
Average molar mass: 282.4 g/mol
Monoisotopic mass: 282.17321333

Names & identifiers

Preferred name: 3-Pyridinol, 5-benzyl-2-(piperidinomethyl)-
IUPAC: 5-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol

Names & synonyms

3-Pyridinol, 5-benzyl-2-(piperidinomethyl)-52196-85-75-Benzyl-2-(piperidinomethyl)-3-pyridinol2-Piperidinomethyl-5-benzyl-3-hydroxypyridine3-Pyridinol, 5-(phenylmethyl)-2-(1-piperidinylmethyl)-DTXSID20200222RefChem:282411DTXCID201227135-benzyl-2-(piperidin-1-ylmethyl)pyridin-3-ol5-benzyl-2-(1-piperidinylmethyl)-3-pyridinolMLS000104838Oprea1_091756

Show more names

Oprea1_739529CBDivE_003558CBDivE_010830CHEMBL1538206HMS2320M07STK368143AKOS000634629SMR000054771

Database identifiers

CAS: 52196-85-7
PubChem CID: 744728
DTXSID: DTXSID20200222
ChEMBL: CHEMBL1538206

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 36.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 298

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Compound notes

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