Piperazinium, 1(or 4)-(3-hydroxypropyl)-1,4(or 1,1)-dimethyl-, iodide, pivalate (ester)

HCID 207997

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Basic information

CAS: 31364-61-1
Standard SMILES: CI.CN1CCN(CCCOC(=O)C(C)(C)C)CC1
InChIKey: MOLMXJDSSBWQQR-UHFFFAOYSA-N
Molecular formula: C14H29IN2O2
Average molar mass: 384.3 g/mol
Monoisotopic mass: 384.12738

Names & identifiers

Preferred name: Piperazinium, 1(or 4)-(3-hydroxypropyl)-1,4(or 1,1)-dimethyl-, iodide, pivalate (ester)
IUPAC: iodomethane;3-(4-methylpiperazin-1-yl)propyl 2,2-dimethylpropanoate

Names & synonyms

31364-61-1Piperazinium, 1(or 4)-(3-hydroxypropyl)-1,4(or 1,1)-dimethyl-, iodide, pivalate (ester)1(or 4)-(3-Hydroxypropyl)-1,4(or 1,1)-dimethylpiperazinium iodide pivalate (ester)DTXSID80185288RefChem:372714DTXCID901077793-(4-Methylpiperazin-1-yl)propyl 2,2-dimethylpropanoate--iodomethane (1/1)

Database identifiers

CAS: 31364-61-1
PubChem CID: 207997
DTXSID: DTXSID80185288

Properties

Computed structural properties

Topological polar surface area: 32.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 242

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