2-[4-(3-Methylphenyl)-1-piperazinyl]-4-pyridinemethanamine
Basic information
- CAS
1016696-42-6- Standard SMILES
Cc1cccc(N2CCN(c3cc(CN)ccn3)CC2)c1- InChIKey
MPZJSWGECXXRQM-UHFFFAOYSA-N- Molecular formula
- C17H22N4
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.18444672
Names & identifiers
- Preferred name
- 2-[4-(3-Methylphenyl)-1-piperazinyl]-4-pyridinemethanamine
- IUPAC
- [2-[4-(3-methylphenyl)piperazin-1-yl]-4-pyridinyl]methanamine
Names & synonyms
2-[4-(3-Methylphenyl)-1-piperazinyl]-4-pyridinemethanamineDTXSID601193214AKOS0001485381016696-42-61-{2-[4-(3-METHYLPHENYL)PIPERAZIN-1-YL]PYRIDIN-4-YL}METHANAMINE
Database identifiers
- CAS
1016696-42-6- PubChem CID
- 20112965
- DTXSID
DTXSID601193214
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 314
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Compound notes
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