Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(4-(1-methylpropyl)-1-piperazinyl)ethyl ester, dihydrochloride
Basic information
- CAS
141312-26-7- Standard SMILES
CCCCCCCOc1ccccc1NC(=O)OCCN1CCN(CC(C)C)CC1.Cl.Cl- InChIKey
NWYSHMUTOIZKIN-UHFFFAOYSA-N- Molecular formula
- C24H43Cl2N3O3
- Average molar mass
- 492.5 g/mol
- Monoisotopic mass
- 491.2681476
Names & identifiers
- Preferred name
- Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(4-(1-methylpropyl)-1-piperazinyl)ethyl ester, dihydrochloride
- IUPAC
- 2-[4-(2-methylpropyl)piperazin-1-yl]ethyl N-(2-heptoxyphenyl)carbamate;dihydrochloride
Names & synonyms
Carbamic acid, (2-(heptyloxy)phenyl)-, 2-(4-(1-methylpropyl)-1-piperazinyl)ethyl ester, dihydrochloride2-(4-Isobutyl-1-piperazinyl)ethyl (2-(heptyloxy)phenyl)carbamate dihydrochloride141312-26-7DTXSID50161690RefChem:331873DTXCID60841812-[4-(2-Methylpropyl)piperazin-1-yl]ethyl [2-(heptyloxy)phenyl]carbamate--hydrogen chloride (1/2)
Database identifiers
- CAS
141312-26-7- PubChem CID
- 3072276
- DTXSID
DTXSID50161690
Properties
Computed structural properties
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 453
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Compound notes
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