Basic information
- CAS
55270-35-4- Standard SMILES
c1ccc2c(N3CCCCC3)cncc2c1- InChIKey
NSUAYNPYGYKFMZ-UHFFFAOYSA-N- Molecular formula
- C14H16N2
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.13134852
Names & identifiers
- Preferred name
- 4-Piperidin-1-ylisoquinoline
- IUPAC
- 4-piperidin-1-ylisoquinoline
Names & synonyms
4-(1-Piperidinyl)isoquinoline4-piperidin-1-ylisoquinoline4-(Piperidin-1-yl)isoquinolineSCHEMBL31342013DTXSID701307056isoquinoline, 4-(1-piperidinyl)-55270-35-4AC-907/34123007InChI=1/C14H16N2/c1-4-8-16(9-5-1)14-11-15-10-12-6-2-3-7-13(12)14/h2-3,6-7,10-11H,1,4-5,8-9H
Database identifiers
- CAS
55270-35-4- PubChem CID
- 640971
- DTXSID
DTXSID701307056
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 16.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…