methyl (S)-4-(3-chloro-2-fluorophenyl)-4-hydroxy-4-((R)-piperidin-3-yl)butylcarbamate

HCID 59201293
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Basic information

Standard SMILES
COC(=O)NCCC[C@@](O)(c1cccc(Cl)c1F)[C@@H]1CCCNC1
InChIKey
MWCRNTYTOGRBBK-PXAZEXFGSA-N
Molecular formula
C17H24ClFN2O3
Average molar mass
358.8 g/mol

Names & identifiers

Preferred name
methyl (S)-4-(3-chloro-2-fluorophenyl)-4-hydroxy-4-((R)-piperidin-3-yl)butylcarbamate
IUPAC
methyl N-[(4S)-4-(3-chloro-2-fluorophenyl)-4-hydroxy-4-[(3R)-piperidin-3-yl]butyl]carbamate

Names & synonyms

SCHEMBL12022295MWCRNTYTOGRBBK-PXAZEXFGSA-Nmethyl (S)-4-(3-chloro-2-fluorophenyl)-4-hydroxy-4-((R)-piperidin-3-yl)butylcarbamate

Database identifiers

PubChem CID
59201293

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
70.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
24

Related reactions

1 records
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Compound notes

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