| CAS Number | 23003-05-6 |
| Catalog Number | AG01C77L |
| Chemical Name | 1-(Prop-2-yn-1-yl)piperidin-4-ol |
| IUPAC Name | 1-prop-2-ynylpiperidin-4-ol |
| InChI | InChI=1S/C8H13NO/c1-2-5-9-6-3-8(10)4-7-9/h1,8,10H,3-7H2 |
| InChI Key | CEUZTHSDJADUSJ-UHFFFAOYSA-N |
| MDL Number | MFCD12146716 |
| Molecular Formula | C8H13NO |
| Molecular Weight | 139.1949 |
| SMILES | OC1CCN(CC#C)CC1 |
| Synonyms | 1-Propargylpiperidin-4-ol,
1-(prop-2-yn-1-yl)piperidin-4-ol,
23003-05-6,
1-Propargylpiperidine-4-ol,
SCHEMBL1414426,
4-Hydroxy-1-propargylpiperidine,
CEUZTHSDJADUSJ-UHFFFAOYSA-N,
ZINC35017959,
AKOS009028710,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 139.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 139.198g/mol |
| Monoisotopic Mass | 139.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
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