1,2-Dimethyl-2-(4-piperidyloxy)-ethanol

HCID 21440907

Notes Reactions

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Basic information

CAS: 40256-16-4
Standard SMILES: CC(O)C(C)OC1CCNCC1
InChIKey: ZWMIOTQNCRWGIS-UHFFFAOYSA-N
Molecular formula: C9H19NO2
Average molar mass: 173.25 g/mol
Monoisotopic mass: 173.14157885

Names & identifiers

Preferred name: 1,2-Dimethyl-2-(4-piperidyloxy)-ethanol
IUPAC: 3-piperidin-4-yloxybutan-2-ol

Names & synonyms

1,2-dimethyl-2-(4-piperidyloxy)-ethanolSCHEMBL116861323-(4-Piperidinyloxy)-2-butanolZWMIOTQNCRWGIS-UHFFFAOYSA-NDTXSID3013054843-[(Piperidin-4-yl)oxy]butan-2-ol40256-16-4

Database identifiers

CAS: 40256-16-4
PubChem CID: 21440907
DTXSID: DTXSID301305484

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 41.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 124

Related reactions

2 records

New reaction record

HRID 329038As reactantuspto-grants-1977_04

HRID 944021As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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