2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
Basic information
- CAS
130497-34-6- Standard SMILES
O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CN1CCCC1- InChIKey
GHCCBWMZKJQGLS-HNNXBMFYSA-N- Molecular formula
- C18H24Cl2N2O
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 354.1265688
Names & identifiers
- Preferred name
- 2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
- IUPAC
- 2-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
Names & synonyms
Tocris-0699BRL-52537CHEMBL71294NCGC00024737-01Lopac-B-55592-(3,4-dichlorophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanoneSCHEMBL10338867DTXSID501137900BDBM50007158NCGC00015157-01NCGC00015157-02NCGC00015157-06
Show more names
130497-34-6Q48363782-(3,4-Dichlorophenyl)-1-[(2S)-2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone2-(3,4-Dichlorophenyl)-1-{(2S)-2-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}ethan-1-one(S)-2-(3,4-Dichloro-phenyl)-1-(2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone(BRL 52537)
Database identifiers
- CAS
130497-34-6- PubChem CID
- 6603740
- DTXSID
DTXSID501137900- ChEMBL
CHEMBL71294- Nikkaji
- J363.504J
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 400
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Compound notes
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