4-{4-[4-(4-Chlorophenyl)piperidin-4-yl]phenyl}pyrimidine
Basic information
- CAS
917807-70-6- Standard SMILES
Clc1ccc(C2(c3ccc(-c4ccncn4)cc3)CCNCC2)cc1- InChIKey
YLIQADIHWFDZDB-UHFFFAOYSA-N- Molecular formula
- C21H20ClN3
- Average molar mass
- 349.9 g/mol
- Monoisotopic mass
- 349.1345753
Names & identifiers
- Preferred name
- 4-{4-[4-(4-Chlorophenyl)piperidin-4-yl]phenyl}pyrimidine
- IUPAC
- 4-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]pyrimidine
Names & synonyms
917807-70-64-{4-[4-(4-Chlorophenyl)piperidin-4-yl]phenyl}pyrimidineDTXSID00581187
Database identifiers
- CAS
917807-70-6- PubChem CID
- 16036166
- DTXSID
DTXSID00581187
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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