3-(4-Adamantanylphenoxy)-1-(4-methylpiperidyl)propan-2-ol

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Basic information

CAS: 301676-13-1
Standard SMILES: CC1CCN(CC(O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1
InChIKey: ZYDRSSLYIKMBKE-UHFFFAOYSA-N
Molecular formula: C25H37NO2
Average molar mass: 383.6 g/mol
Monoisotopic mass: 383.28242942

Names & identifiers

Preferred name: 3-(4-Adamantanylphenoxy)-1-(4-methylpiperidyl)propan-2-ol
IUPAC: 1-[4-(1-adamantyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol

Names & synonyms

301676-13-14-Methyl-alpha-[(4-tricyclo[3.3.1.13,7]dec-1-ylphenoxy)methyl]-1-piperidineethanolCBDivE_009312Oprea1_127569SCHEMBL19174115DTXSID201138028AKOS002160801ST451752423-(4-adamantanylphenoxy)-1-(4-methylpiperidyl)propan-2-ol1-[4-(ADAMANTAN-1-YL)PHENOXY]-3-(4-METHYLPIPERIDIN-1-YL)PROPAN-2-OL4-Methyl-I+/--[(4-tricyclo[3.3.1.13,7]dec-1-ylphenoxy)methyl]-1-piperidineethanol

Database identifiers

CAS: 301676-13-1
PubChem CID: 2769732
DTXSID: DTXSID201138028

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 477

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Compound notes

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