trans-3-Methylfentanyl

HCID 40537366

Notes Reactions

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Basic information

CAS: 65814-07-5
Standard SMILES: CCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@@H]1C
InChIKey: MLQRZXNZHAOCHQ-UGKGYDQZSA-N
Molecular formula: C23H30N2O
Average molar mass: 350.5 g/mol
Monoisotopic mass: 350.23581359

Names & identifiers

Preferred name: trans-3-Methylfentanyl
IUPAC: N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

Names & synonyms

trans-3-Methylfentanyl3-Methylfentanyl, trans-78995-17-228A85EPF6LCHEMBL2904114399175D8N3-Methylfentanyl, (3S,4S)-UNII-4399175D8NR-1814065814-07-5Propanamide, N-(3-methyl-1-(2-phenylethyl)-4-piperidinyl)-N-phenyl-, trans-Rel-N-((3R,4R)-3-methyl-1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamide

Show more names

Propanamide, N-((3R,4R)-3-methyl-1-(2-phenylethyl)-4-piperidinyl)-N-phenyl-, rel-Propanamide, N-((3S,4S)-3-methyl-1-(2-phenylethyl)-4-piperidinyl)-N-phenyl-Propanamide, N-(3-methyl-1-(2-phenylethyl)-4-piperidinyl)-N-phenyl-, (3S-trans)-UNII-28A85EPF6L(3S,4S)-3-MethylfentanylSCHEMBL9679157(+/-)-trans-3-methyl FentanylDTXSID101036732

Database identifiers

CAS: 65814-07-5、78995-17-2
PubChem CID: 40537366
DTXSID: DTXSID101036732
ChEMBL: CHEMBL290411
UNII: 28A85EPF6L、4399175D8N
Nikkaji: J283.262C

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 23.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 26
Formal charge: 0
Complexity: 426

Experimental & physicochemical properties

DrugsDEA NFLIS-Drug Category -> Fentanyl and Fentanyl-related

Related reactions

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Compound notes

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