Basic information
- CAS
21279-79-8- Standard SMILES
COc1ccc(N2CCN(CCCCl)CC2)cc1- InChIKey
MSMRLFVBNHULKL-UHFFFAOYSA-N- Molecular formula
- C14H21ClN2O
- Average molar mass
- 268.78 g/mol
- Monoisotopic mass
- 268.13424097
Names & identifiers
- Preferred name
- 1-(3-Chloropropyl)-4-(4-methoxyphenyl)piperazine
- IUPAC
- 1-(3-chloropropyl)-4-(4-methoxyphenyl)piperazine
Names & synonyms
1-(3-chloropropyl)-4-(4-methoxyphenyl)piperazinePiperazine, 1-(3-chloropropyl)-4-(p-methoxyphenyl)-DTXSID7017553721279-79-8RefChem:1054159DTXCID3098028BRN 15798951-(3-Chloropropyl)-4-(p-methoxyphenyl)piperazineSCHEMBL10994325MSMRLFVBNHULKL-UHFFFAOYSA-NAKOS0060427801-(3-chloropropyl)-4-(4-methoxyphenyl)-piperazine
Database identifiers
- CAS
21279-79-8- PubChem CID
- 210537
- DTXSID
DTXSID70175537- Nikkaji
- J1.410.647B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 15.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 224
Related reactions
2 records
Compound notes
Loading…