5-(3-Piperidylmethyl)-1,3-benzodioxole - CAS 955314-95-1
Catalog: |
BB041750 |
Product Name: |
5-(3-Piperidylmethyl)-1,3-benzodioxole |
CAS: |
955314-95-1 |
Synonyms: |
3-(1,3-benzodioxol-5-ylmethyl)piperidine; 3-(1,3-benzodioxol-5-ylmethyl)piperidine |
IUPAC Name: | 3-(1,3-benzodioxol-5-ylmethyl)piperidine |
Description: | 5-(3-Piperidylmethyl)-1,3-benzodioxole (CAS# 955314-95-1) is a useful research chemical. |
Molecular Weight: | 219.28 |
Molecular Formula: | C13H17NO2 |
Canonical SMILES: | C1CC(CNC1)CC2=CC3=C(C=C2)OCO3 |
InChI: | InChI=1S/C13H17NO2/c1-2-11(8-14-5-1)6-10-3-4-12-13(7-10)16-9-15-12/h3-4,7,11,14H,1-2,5-6,8-9H2 |
InChI Key: | JGIVRLDNRBEOHY-UHFFFAOYSA-N |
Boiling Point: | 336.3 °C at 760 mmHg |
Density: | 1.142 g/cm3 |
LogP: | 2.28620 |
Publication Number | Title | Priority Date |
JP-2020045402-A | Photopolymerization initiator, photopolymerization initiator set, photocurable composition, dental material, and cured product | 20180918 |
AU-2006272049-A1 | Substituted piperidine derivatives as somatostatin SST1 receptor antagonists | 20050715 |
BR-PI0612994-A2 | substituted piperidine derivatives as sst1 somatostatin receptor antagonists | 20050715 |
CA-2615236-A1 | Substituted piperidine derivatives as somatostatin sst1 receptor antagonists | 20050715 |
CN-101222924-A | Substituted piperidine derivatives as somatostatin sst1 receptor antagonists | 20050715 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.125928785 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.125928785 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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