3-Hydroxy-3-(4-piperidyl)-1,4-pentadiyne - CAS 1824056-69-0
Catalog: |
BB013976 |
Product Name: |
3-Hydroxy-3-(4-piperidyl)-1,4-pentadiyne |
CAS: |
1824056-69-0 |
Synonyms: |
3-(4-piperidinyl)-3-penta-1,4-diynol; 3-piperidin-4-ylpenta-1,4-diyn-3-ol |
IUPAC Name: | 3-piperidin-4-ylpenta-1,4-diyn-3-ol |
Description: | 3-Hydroxy-3-(4-piperidyl)-1,4-pentadiyne (CAS# 1824056-69-0) is a useful research chemical. |
Molecular Weight: | 163.22 |
Molecular Formula: | C10H13NO |
Canonical SMILES: | C#CC(C#C)(C1CCNCC1)O |
InChI: | InChI=1S/C10H13NO/c1-3-10(12,4-2)9-5-7-11-8-6-9/h1-2,9,11-12H,5-8H2 |
InChI Key: | OZDSVJHEGDGVFD-UHFFFAOYSA-N |
LogP: | 0.31230 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.099714038 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 32.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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