Basic information
- CAS
184921-10-6- Standard SMILES
O=[N+]([O-])c1ccccc1CN1CCC(O)CC1- InChIKey
WTSNTDKLJQABLL-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.11609238
Names & identifiers
- Preferred name
- 1-[(2-Nitrophenyl)methyl]piperidin-4-ol
- IUPAC
- 1-[(2-nitrophenyl)methyl]piperidin-4-ol
Names & synonyms
184921-10-61-[(2-nitrophenyl)methyl]piperidin-4-ol1-[(2-Nitrophenyl)methyl]-4-piperidinol1-(2-nitro-benzyl)-piperidin-4-olCambridge id 5269563Oprea1_787379SCHEMBL8550826WTSNTDKLJQABLL-UHFFFAOYSA-N1-(2-nitrobenzyl)-4-piperidinolDTXSID801278298AKOS009028392DB-097473
Show more names
AB00078359-01SR-01000202592SR-01000202592-1
Database identifiers
- CAS
184921-10-6- PubChem CID
- 765018
- DTXSID
DTXSID801278298
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Related reactions
6 records
Compound notes
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