Piperazinium, 4-beta-hydroxyethyl-1-methyl-1-(1-phenylcyclohexyl)-, iodide
Basic information
- CAS
21602-70-0- Standard SMILES
CI.OCCN1CCN(C2(c3ccccc3)CCCCC2)CC1- InChIKey
SQWUKNIHXJTXPV-UHFFFAOYSA-N- Molecular formula
- C19H31IN2O
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.14811
Names & identifiers
- Preferred name
- Piperazinium, 4-beta-hydroxyethyl-1-methyl-1-(1-phenylcyclohexyl)-, iodide
- IUPAC
- iodomethane;2-[4-(1-phenylcyclohexyl)piperazin-1-yl]ethanol
Names & synonyms
21602-70-0Piperazinium, 4-beta-hydroxyethyl-1-methyl-1-(1-phenylcyclohexyl)-, iodideDTXSID001759894-beta-Hydroxyethyl-1-methyl-1-(1-phenylcyclohexyl)piperazinium, iodidePiperazine, 4-(1-phenylcyclohexyl)-, monomethiodideRefChem:372770DTXCID90984802-[4-(1-Phenylcyclohexyl)piperazin-1-yl]ethan-1-ol--iodomethane (1/1)
Database identifiers
- CAS
21602-70-0- PubChem CID
- 210780
- DTXSID
DTXSID00175989
Properties
Computed structural properties
- Topological polar surface area
- 26.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 302
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Compound notes
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