3-[4-(3-Methoxyphenyl)piperazin-1-yl]propan-1-amine
Basic information
- CAS
20529-24-2- Standard SMILES
COc1cccc(N2CCN(CCCN)CC2)c1- InChIKey
WTPQGUKDYHOMOA-UHFFFAOYSA-N- Molecular formula
- C14H23N3O
- Average molar mass
- 249.35 g/mol
- Monoisotopic mass
- 249.18411237
Names & identifiers
- Preferred name
- 3-[4-(3-Methoxyphenyl)piperazin-1-yl]propan-1-amine
- IUPAC
- 3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine
- English name
- 1-Piperazinepropanamine, 4-(3-methoxyphenyl)-
- Molecular formula
- C14H23N3O
- Molecular weight
- 249.35
Names & synonyms
3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-amine20529-24-23-(4-(3-Methoxyphenyl)piperazin-1-yl)propan-1-amineSCHEMBL8828388DTXSID701261329ALBB-034017AKOS0002162884-(3-Methoxyphenyl)-1-piperazinepropanamineH47362[3-[4-(3-METHOXYPHENYL)PIPERAZIN-1-YL]PROPYL]AMINE1-Piperazinepropanamine, 4-(3-methoxyphenyl)-
Database identifiers
- CAS
20529-24-2- PubChem CID
- 21473548
- DTXSID
DTXSID701261329
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Boiling point
- 403.982 · 403.982±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.063 · 1.063±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.393 · 10.393±0.10(predicted)
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Compound notes
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