p-Cresol, 2-methoxy-alpha-(4-(2-pyrimidinyl)-1-piperazinyl)-, hydrochloride, hydrate (2:4:1)
Basic information
- CAS
3601-83-0- Standard SMILES
COc1cc(CN2CCN(c3ncccn3)CC2)ccc1O.Cl.Cl- InChIKey
NEJSHLSJMMAVQZ-UHFFFAOYSA-N- Molecular formula
- C16H22Cl2N4O2
- Average molar mass
- 373.3 g/mol
- Monoisotopic mass
- 372.1119813
Names & identifiers
- Preferred name
- p-Cresol, 2-methoxy-alpha-(4-(2-pyrimidinyl)-1-piperazinyl)-, hydrochloride, hydrate (2:4:1)
- IUPAC
- 2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol;dihydrochloride
Names & synonyms
p-Cresol, 2-methoxy-alpha-(4-(2-pyrimidinyl)-1-piperazinyl)-, hydrochloride, hydrate (2:4:1)3601-83-0DTXSID901895751-(3-Methoxy-4-hydroxybenzyl)-4-(2-pyrimidyl)-piperazine hydrochloride hydrate2-Methoxy-alpha-(4-(2-pyrimidinyl)-1-piperazinyl)-p-cresol hydrochloride hydrate (2:4:1)RefChem:367616DTXCID501120662-Methoxy-4-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}phenol--hydrogen chloride (1/2)
Database identifiers
- CAS
3601-83-0- PubChem CID
- 19209
- DTXSID
DTXSID90189575
Properties
Computed structural properties
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 330
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…