2-((1-Adamantyl(methyl)amino)methyl)-3-piperidinol
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Basic information
- Standard SMILES
CN(CC1NCCCC1O)C12CC3CC(CC(C3)C1)C2- InChIKey
SMEQDMDVBRCDML-UHFFFAOYSA-N- Molecular formula
- C17H30N2O
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.23581359
Names & identifiers
- Preferred name
- 2-((1-Adamantyl(methyl)amino)methyl)-3-piperidinol
- IUPAC
- 2-[[1-adamantyl(methyl)amino]methyl]piperidin-3-ol
Names & synonyms
NSC6385022-((1-Adamantyl(methyl)amino)methyl)-3-piperidinol2-[[1-adamantyl(methyl)amino]methyl]piperidin-3-olCHEMBL1968553NSC-638502NCI60_012886{2-[[(N-Adamant-1-yl-N-methyl)amino]methyl]-3-hydroxy-} piperidine {hydrate[2:1]}2-[[(N-Adamant-1-yl-N-methyl)amino]methyl]-3-hydroxy- piperidine hydrate[2:1]
Database identifiers
- PubChem CID
- 368153
- ChEMBL
CHEMBL1968553
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
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Compound notes
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