Basic information
- CAS
136818-99-0- Standard SMILES
CCNc1cccnc1N1CCN(Cc2cc(C)c(OC)c(C)c2)CC1.Cl- InChIKey
MQXCHEWDSNSGBN-UHFFFAOYSA-N- Molecular formula
- C21H31ClN4O
- Average molar mass
- 390.9 g/mol
- Monoisotopic mass
- 390.2186393
Overview
inhibits HIV-1 reverse transcriptase; structure in first source
Names & identifiers
- Preferred name
- 1-(4-Methoxy-3,5-dimethylbenzyl)-4-(3-(ethylamino)-2-pyridyl)piperazine hydrochloride
- IUPAC
- N-ethyl-2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]pyridin-3-amine;hydrochloride
- English name
- 1-(4-methoxy-3,5-dimethylbenzyl)-4-(3-(ethylamino)-2-pyridyl)piperazine hydrochloride
- Molecular weight
- 0
Names & synonyms
136818-99-01-(4-Methoxy-3,5-dimethylbenzyl)-4-(3-(ethylamino)-2-pyridyl)piperazine hydrochlorideDTXSID80159964U-80493E3-Pyridinamine, N-ethyl-2-(4-((4-methoxy-3,5-dimethylphenyl)methyl)-1-piperazinyl)-, monohydrochlorideRefChem:74512DTXCID9082455N-ethyl-2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]pyridin-3-amine;hydrochlorideU 80493ECHEMBL543242SCHEMBL22150567N-Ethyl-2-(4-(4-methoxy-3,5-dimethylbenzyl)piperazin-1-yl)pyridin-3-amine hydrochloride
Show more names
N-Ethyl-2-{4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl}pyridin-3-amine--hydrogen chloride (1/1)
Database identifiers
- CAS
136818-99-0- PubChem CID
- 196882
- DTXSID
DTXSID80159964
Properties
Computed structural properties
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 401
Chemistry & industry
Suppliers1 total
上海百韧生物科技有限公司13564638271 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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