Basic information
- CAS
14194-13-9- Standard SMILES
O=[N+]([O-])c1ccc(N=CN2CCCCC2)cc1- InChIKey
IMKBTFOHBYTFCZ-UHFFFAOYSA-N- Molecular formula
- C12H15N3O2
- Average molar mass
- 233.27 g/mol
- Monoisotopic mass
- 233.11642673
Names & identifiers
- Preferred name
- Methanimine, 1-(1-piperidinyl), N-(4-nitrophenyl)
- IUPAC
- N-(4-nitrophenyl)-1-piperidin-1-ylmethanimine
Names & synonyms
Methanimine, 1-(1-piperidinyl), N-(4-nitrophenyl)14194-13-9DTXSID20335225IMKBTFOHBYTFCZ-UHFFFAOYSA-N(E)-N-(4-Nitrophenyl)-1-(piperidin-1-yl)methanimine
Database identifiers
- CAS
14194-13-9- PubChem CID
- 523906
- DTXSID
DTXSID20335225- Nikkaji
- J436.987D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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