Qtu77E85XF
Basic information
- CAS
895-68-1- Standard SMILES
COc1ccc(N2CCN(CCCN(C)C)CC2)cc1- InChIKey
MOYBVKHVBFCEQA-UHFFFAOYSA-N- Molecular formula
- C16H27N3O
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.21541249
Names & identifiers
- Preferred name
- Qtu77E85XF
- IUPAC
- 3-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
Names & synonyms
QTU77E85XFCL-71366 free baseUNII-QTU77E85XF895-68-11-Piperazinepropanamine, 4-(4-methoxyphenyl)-N,N-dimethyl-Piperazine, 1-(3-(dimethylamino)propyl)-4-(p-methoxyphenyl)-
Database identifiers
- CAS
895-68-1- PubChem CID
- 31059
- UNII
- QTU77E85XF
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 256
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Compound notes
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