Completing data — usually done within a minute
Basic information
- CAS
135135-80-7- Standard SMILES
O=C(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1- InChIKey
KWRMWQDKOGFMKP-UHFFFAOYSA-N- Molecular formula
- C17H22FNO
- Average molar mass
- 275.36 g/mol
- Monoisotopic mass
- 275.16854254
Names & identifiers
- Preferred name
- DUP-734 free base
- IUPAC
- 2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-fluorophenyl)ethanone
Names & synonyms
DUP-734 free baseUNII-T033730RWW135135-80-7T033730RWWDTXSID80159262ETHANONE, 2-(1-(CYCLOPROPYLMETHYL)-4-PIPERIDINYL)-1-(4-FLUOROPHENYL)-RefChem:136002DTXCID6081753CHEMBL422282-(1-(Cyclopropylmethyl)piperidin-4-yl)-1-(4-fluorophenyl)ethan-1-one2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-fluorophenyl)ethan-1-oneCHEMBL543412
Show more names
SCHEMBL7358803KWRMWQDKOGFMKP-UHFFFAOYSA-NBDBM50002218L004958Q272894931-(Cyclopropylmethyl)-4-(2'-(4"-fluorophenyl)-2'-oxoethyl)piperidine1-(cyclopropylmethyl)-4-(2'-(4''-fluorophenyl)-2'-oxo-ethyl)-piperidine2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro-phenyl)-ethanone; hydrobromide
Database identifiers
- CAS
135135-80-7- PubChem CID
- 121968
- DTXSID
DTXSID80159262- ChEMBL
CHEMBL42228、CHEMBL543412- UNII
- T033730RWW
- Nikkaji
- J533.101C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 326
Related reactions
5 records
Compound notes
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