N-(4-Pyridinylmethyl)-1-piperazineethanamine
Basic information
- CAS
118630-29-8- Standard SMILES
c1cc(CNCCN2CCNCC2)ccn1- InChIKey
IBYTYGDHBRNVOK-UHFFFAOYSA-N- Molecular formula
- C12H20N4
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.16879665
Names & identifiers
- Preferred name
- N-(4-Pyridinylmethyl)-1-piperazineethanamine
- IUPAC
- 2-piperazin-1-yl-N-(pyridin-4-ylmethyl)ethanamine
Names & synonyms
N-(4-Pyridinylmethyl)-1-piperazineethanamine118630-29-8RefChem:362243NSC66185MLS002693552NSC-66185NCIStruc1_000514NCIStruc2_0004352-(1-piperazinyl)-N-(4-pyridinylmethyl)ethanamineCHEMBL1318461SCHEMBL15329158DTXSID201259622
Show more names
HMS3087A06NCI66185CCG-38199NCGC00013764AKOS002632892NCGC00013764-02NCGC00096874-01NCI60_021479
Database identifiers
- CAS
118630-29-8- PubChem CID
- 248754
- DTXSID
DTXSID201259622- ChEMBL
CHEMBL1318461
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 174
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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