(3-Fluorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methanone
Basic information
- CAS
5824-43-1- Standard SMILES
O=C(c1cccc(F)c1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1- InChIKey
KQSNODABNQYPDX-UHFFFAOYSA-N- Molecular formula
- C18H18FN3O3
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.13321961
Names & identifiers
- Preferred name
- (3-Fluorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methanone
- IUPAC
- (3-fluorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methanone
Names & synonyms
(3-fluorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methanone1-(3-fluorobenzoyl)-4-(4-nitrobenzyl)piperazineOprea1_180563DTXSID30973798MFCD01816586AKOS001489296AB00098425-01AG-690/12782077(3-Fluorophenyl){4-[(4-nitrophenyl)methyl]piperazin-1-yl}methanone1-(3-FLUOROBENZOYL)-4-[(4-NITROPHENYL)METHYL]PIPERAZINE1-[(3-fluorophenyl)carbonyl]-4-({4-nitrophenyl}methyl)piperazine(3-fluorophenyl){4-[(4-nitrophenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1)
Database identifiers
- CAS
5824-43-1- PubChem CID
- 695073
- DTXSID
DTXSID30973798
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 469
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Compound notes
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