1-(1,1-Dimethyl-2-propynyl)-4-piperidinol

HCID 22744488

Notes Reactions

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Basic information

CAS: 240400-96-8
Standard SMILES: C#CC(C)(C)N1CCC(O)CC1
InChIKey: JXLBZBQQIQAJIE-UHFFFAOYSA-N
Molecular formula: C10H17NO
Average molar mass: 167.25 g/mol
Monoisotopic mass: 167.13101416

Names & identifiers

Preferred name: 1-(1,1-Dimethyl-2-propynyl)-4-piperidinol
IUPAC: 1-(2-methylbut-3-yn-2-yl)piperidin-4-ol

Names & synonyms

1-(1,1-dimethyl-2-propyn-1-yl)-4-piperidinol240400-96-81-(1,1-Dimethyl-2-propynyl)-4-piperidinolSCHEMBL6774809JXLBZBQQIQAJIE-UHFFFAOYSA-NDTXSID401255333DB-1264361-(2-methylbut-3-yn-2-yl)piperidin-4-ol

Database identifiers

CAS: 240400-96-8
PubChem CID: 22744488
DTXSID: DTXSID401255333

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 193

Related reactions

3 records

New reaction record

HRID 47318As productuspto-grants-2004_03

HRID 954352As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 2300154As productuspto-grants-2002_12

Compound notes

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